1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

C112H120F2N22O10 — CID 157199748

IUPAC1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
SMILESCOCc1ccc(C2CC2(F)F)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.COCc1cccc(C(NC(=O)Nc2c(C)c(-c3ccc(=O)n(C)c3)nn2-c2ccccc2)C2CC2)c1.COCc1cccc(C(NC(=O)Nc2c(C)c(-c3ccn(C)c(=O)c3)nn2-c2ccccc2)C2CC2)c1.COCc1cccc(C(NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)C2CC2)c1
InChIInChI=1S/2C29H31N5O3.C27H28F2N6O2.C27H30N6O2/c1-19-26(23-14-15-33(2)25(35)17-23)32-34(24-10-5-4-6-11-24)28(19)31-29(36)30-27(21-12-13-21)22-9-7-8-20(16-22)18-37-3;1-19-26(23-14-15-25(35)33(2)17-23)32-34(24-10-5-4-6-11-24)28(19)31-29(36)30-27(21-12-13-21)22-9-7-8-20(16-22)18-37-3;1-17-24(20-14-31-34(2)15-20)33-35(21-7-5-4-6-8-21)25(17)32-26(36)30-13-19-11-18(16-37-3)9-10-22(19)23-12-27(23,28)29;1-18-24(22-15-28-32(2)16-22)31-33(23-10-5-4-6-11-23)26(18)30-27(34)29-25(20-12-13-20)21-9-7-8-19(14-21)17-35-3/h2*4-11,14-17,21,27H,12-13,18H2,1-3H3,(H2,30,31,36);4-11,14-15,23H,12-13,16H2,1-3H3,(H2,30,32,36);4-11,14-16,20,25H,12-13,17H2,1-3H3,(H2,29,30,34)
InChIKeyAQQXZJJRINCDMD-UHFFFAOYSA-N
MW1972.33 g/mol
LogP20.10
Rot. Bonds32

About 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 157199748) has the molecular formula C112H120F2N22O10 and a molecular weight of 1972.33 g/mol. Its IUPAC name is 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
PubChem CID157199748
Molecular FormulaC112H120F2N22O10
Molecular Weight1972.33 g/mol
Exact Mass1970.95
IUPAC Name1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
SMILESCOCc1ccc(C2CC2(F)F)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.COCc1cccc(C(NC(=O)Nc2c(C)c(-c3ccc(=O)n(C)c3)nn2-c2ccccc2)C2CC2)c1.COCc1cccc(C(NC(=O)Nc2c(C)c(-c3ccn(C)c(=O)c3)nn2-c2ccccc2)C2CC2)c1.COCc1cccc(C(NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)C2CC2)c1
InChIInChI=1S/2C29H31N5O3.C27H28F2N6O2.C27H30N6O2/c1-19-26(23-14-15-33(2)25(35)17-23)32-34(24-10-5-4-6-11-24)28(19)31-29(36)30-27(21-12-13-21)22-9-7-8-20(16-22)18-37-3;1-19-26(23-14-15-25(35)33(2)17-23)32-34(24-10-5-4-6-11-24)28(19)31-29(36)30-27(21-12-13-21)22-9-7-8-20(16-22)18-37-3;1-17-24(20-14-31-34(2)15-20)33-35(21-7-5-4-6-8-21)25(17)32-26(36)30-13-19-11-18(16-37-3)9-10-22(19)23-12-27(23,28)29;1-18-24(22-15-28-32(2)16-22)31-33(23-10-5-4-6-11-23)26(18)30-27(34)29-25(20-12-13-20)21-9-7-8-19(14-21)17-35-3/h2*4-11,14-17,21,27H,12-13,18H2,1-3H3,(H2,30,31,36);4-11,14-15,23H,12-13,16H2,1-3H3,(H2,30,32,36);4-11,14-16,20,25H,12-13,17H2,1-3H3,(H2,29,30,34)
InChIKeyAQQXZJJRINCDMD-UHFFFAOYSA-N
XLogP20.10
TPSA352.36 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001972.33
LogP ≤ 520.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (CID 157199748) is 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is COCc1ccc(C2CC2(F)F)c(CNC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)c1.COCc1cccc(C(NC(=O)Nc2c(C)c(-c3ccc(=O)n(C)c3)nn2-c2ccccc2)C2CC2)c1.COCc1cccc(C(NC(=O)Nc2c(C)c(-c3ccn(C)c(=O)c3)nn2-c2ccccc2)C2CC2)c1.COCc1cccc(C(NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)C2CC2)c1.
What is the InChIKey of 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is AQQXZJJRINCDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H31N5O3.C27H28F2N6O2.C27H30N6O2/c1-19-26(23-14-15-33(2)25(35)17-23)32-34(24-10-5-4-6-11-24)28(19)31-29(36)30-27(21-12-13-21)22-9-7-8-20(16-22)18-37-3;1-19-26(23-14-15-25(35)33(2)17-23)32-34(24-10-5-4-6-11-24)28(19)31-29(36)30-27(21-12-13-21)22-9-7-8-20(16-22)18-37-3;1-17-24(20-14-31-34(2)15-20)33-35(21-7-5-4-6-8-21)25(17)32-26(36)30-13-19-11-18(16-37-3)9-10-22(19)23-12-27(23,28)29;1-18-24(22-15-28-32(2)16-22)31-33(23-10-5-4-6-11-23)26(18)30-27(34)29-25(20-12-13-20)21-9-7-8-19(14-21)17-35-3/h2*4-11,14-17,21,27H,12-13,18H2,1-3H3,(H2,30,31,36);4-11,14-15,23H,12-13,16H2,1-3H3,(H2,30,32,36);4-11,14-16,20,25H,12-13,17H2,1-3H3,(H2,29,30,34).
What are the key properties of 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 1972.33 g/mol, XLogP of 20.10, 32 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-2-oxo-4-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea;1-[cyclopropyl-[3-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea;1-[[2-(2,2-difluorocyclopropyl)-5-(methoxymethyl)phenyl]methyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 157199748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).