1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea

C21H17ClN4O — CID 19447846

IUPAC1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H17ClN4O/c22-17-8-10-18(11-9-17)24-21(27)25-19-12-23-26(14-19)13-16-6-3-5-15-4-1-2-7-20(15)16/h1-12,14H,13H2,(H2,24,25,27)
InChIKeyZLVHJUMOCZRZEJ-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.38
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea

1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea (PubChem CID 19447846) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
PubChem CID19447846
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H17ClN4O/c22-17-8-10-18(11-9-17)24-21(27)25-19-12-23-26(14-19)13-16-6-3-5-15-4-1-2-7-20(15)16/h1-12,14H,13H2,(H2,24,25,27)
InChIKeyZLVHJUMOCZRZEJ-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

4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19399595
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 17266709
2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507401
1-(3-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 17300277
1-(3,4-dichlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 19343204
2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19536822
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263639
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476955
4-bromo-1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267344
1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19270210
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19515965

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea (CID 19447846) is 1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cnn(Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is ZLVHJUMOCZRZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-17-8-10-18(11-9-17)24-21(27)25-19-12-23-26(14-19)13-16-6-3-5-15-4-1-2-7-20(15)16/h1-12,14H,13H2,(H2,24,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea?
1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea 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-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 19447846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).