1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea

C19H20F4N4O — CID 172633878

IUPAC1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea
SMILESCn1nc(-c2ccc(F)c(F)c2)c(C2CCC2)c1NC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C19H20F4N4O/c1-27-17(25-18(28)24-12-8-19(22,23)9-12)15(10-3-2-4-10)16(26-27)11-5-6-13(20)14(21)7-11/h5-7,10,12H,2-4,8-9H2,1H3,(H2,24,25,28)
InChIKeyRDSCNFMMPGBKLS-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.55
Rot. Bonds4

About 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea

1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea (PubChem CID 172633878) has the molecular formula C19H20F4N4O and a molecular weight of 396.39 g/mol. Its IUPAC name is 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea.

Molecular Properties

Compound Name1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea
PubChem CID172633878
Molecular FormulaC19H20F4N4O
Molecular Weight396.39 g/mol
Exact Mass396.16
IUPAC Name1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea
SMILESCn1nc(-c2ccc(F)c(F)c2)c(C2CCC2)c1NC(=O)NC1CC(F)(F)C1
InChIInChI=1S/C19H20F4N4O/c1-27-17(25-18(28)24-12-8-19(22,23)9-12)15(10-3-2-4-10)16(26-27)11-5-6-13(20)14(21)7-11/h5-7,10,12H,2-4,8-9H2,1H3,(H2,24,25,28)
InChIKeyRDSCNFMMPGBKLS-UHFFFAOYSA-N
XLogP4.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-cyclobutyl-2-methyl-5-(3-oxocyclobutyl)pyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169307
1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169358
1-(5-cyclobutyl-2,4-dimethylpyrazol-3-yl)-3-(3,3-difluorocyclobutyl)urea
CID 172633879
1-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-[(1S)-3,3-difluorocyclopentyl]urea
CID 169169761
N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide
CID 172633809
1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-1-methylpyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169767
N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169454
N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633521
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 172633791
N-[4-cyclobutyl-5-(3,4-difluorophenyl)-1-methylpyrazol-3-yl]-2-(1-methoxycyclobutyl)acetamide
CID 169169856
N-[4-cyclobutyl-1-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrazol-5-yl]-2-[(1S)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633900
(2S)-N-[4-cyclobutyl-5-(3,5-difluorophenyl)-1-methylpyrazol-3-yl]-2-(3,3-difluorocyclobutyl)propanamide
CID 172633618

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea?
The IUPAC name of 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea (CID 172633878) is 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea.
What is the SMILES notation for 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea?
The canonical SMILES for 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea is Cn1nc(-c2ccc(F)c(F)c2)c(C2CCC2)c1NC(=O)NC1CC(F)(F)C1.
What is the InChIKey of 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea?
The InChIKey is RDSCNFMMPGBKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O/c1-27-17(25-18(28)24-12-8-19(22,23)9-12)15(10-3-2-4-10)16(26-27)11-5-6-13(20)14(21)7-11/h5-7,10,12H,2-4,8-9H2,1H3,(H2,24,25,28).
What are the key properties of 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea?
1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea has a molecular weight of 396.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclobutyl-3-(3,4-difluorophenyl)-1-methylpyrazol-5-yl]-3-(3,3-difluorocyclobutyl)urea is sourced from PubChem (CID 172633878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).