1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea

C20H23N5O2 — CID 71797550

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2cc(-c3ccncc3)n(C)n2)cc1
InChIInChI=1S/C20H23N5O2/c1-25-19(16-8-10-21-11-9-16)13-17(24-25)14-23-20(26)22-12-7-15-3-5-18(27-2)6-4-15/h3-6,8-11,13H,7,12,14H2,1-2H3,(H2,22,23,26)
InChIKeyFLRMOBZKLNPKRJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.53
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea

1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea (PubChem CID 71797550) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
PubChem CID71797550
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2cc(-c3ccncc3)n(C)n2)cc1
InChIInChI=1S/C20H23N5O2/c1-25-19(16-8-10-21-11-9-16)13-17(24-25)14-23-20(26)22-12-7-15-3-5-18(27-2)6-4-15/h3-6,8-11,13H,7,12,14H2,1-2H3,(H2,22,23,26)
InChIKeyFLRMOBZKLNPKRJ-UHFFFAOYSA-N
XLogP2.53
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71808650
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554940
2-(3-methoxyphenoxy)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90555028
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554937
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90555324
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
CID 71808370
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555212
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 71797521
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555638

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea (CID 71797550) is 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea is COc1ccc(CCNC(=O)NCc2cc(-c3ccncc3)n(C)n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
The InChIKey is FLRMOBZKLNPKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25-19(16-8-10-21-11-9-16)13-17(24-25)14-23-20(26)22-12-7-15-3-5-18(27-2)6-4-15/h3-6,8-11,13H,7,12,14H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea?
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea has a molecular weight of 365.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 71797550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).