1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea

C21H17ClN4O — CID 17266709

IUPAC1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)Nc1cccc2ccccc12
InChIInChI=1S/C21H17ClN4O/c22-17-10-8-15(9-11-17)13-26-14-18(12-23-26)24-21(27)25-20-7-3-5-16-4-1-2-6-19(16)20/h1-12,14H,13H2,(H2,24,25,27)
InChIKeyNOFOFESPOLJVOZ-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.38
Rot. Bonds4

About 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea

1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea (PubChem CID 17266709) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
PubChem CID17266709
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)Nc1cccc2ccccc12
InChIInChI=1S/C21H17ClN4O/c22-17-10-8-15(9-11-17)13-26-14-18(12-23-26)24-21(27)25-20-7-3-5-16-4-1-2-6-19(16)20/h1-12,14H,13H2,(H2,24,25,27)
InChIKeyNOFOFESPOLJVOZ-UHFFFAOYSA-N
XLogP5.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
CID 19447846
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19447912
1-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19448067
1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 19405685
4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19399595
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylthiourea
CID 19344135
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447776
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
1-benzyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342344
1-(3-chloro-4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 25237620
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
CID 19407577

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea (CID 17266709) is 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea is O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
The InChIKey is NOFOFESPOLJVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-17-10-8-15(9-11-17)13-26-14-18(12-23-26)24-21(27)25-20-7-3-5-16-4-1-2-6-19(16)20/h1-12,14H,13H2,(H2,24,25,27).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea?
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea has a molecular weight of 376.85 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 17266709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).