1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea

C17H14ClFN4O — CID 19405700

IUPAC1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H14ClFN4O/c18-13-3-7-15(8-4-13)20-17(24)21-16-9-10-23(22-16)11-12-1-5-14(19)6-2-12/h1-10H,11H2,(H2,20,21,22,24)
InChIKeyQBRKEMIMRBLMAY-UHFFFAOYSA-N
MW344.78 g/mol
LogP4.37
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea

1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea (PubChem CID 19405700) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea
PubChem CID19405700
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H14ClFN4O/c18-13-3-7-15(8-4-13)20-17(24)21-16-9-10-23(22-16)11-12-1-5-14(19)6-2-12/h1-10H,11H2,(H2,20,21,22,24)
InChIKeyQBRKEMIMRBLMAY-UHFFFAOYSA-N
XLogP4.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide
CID 1473146
N'-(4-chlorophenyl)-N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)urea
CID 2800079
1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
7-Amino-4-[(3-chlorophenyl)methyl]-10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 44218166
1-(2-Benzyl-5-methylpyrazol-3-yl)-3-(3,4-difluorophenyl)urea
CID 48750778
[4-[2-(4-Chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69675755
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
1-[4-bromo-1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 1297962
1-(1-Benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 71812974

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea (CID 19405700) is 1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccn(Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea?
The InChIKey is QBRKEMIMRBLMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-13-3-7-15(8-4-13)20-17(24)21-16-9-10-23(22-16)11-12-1-5-14(19)6-2-12/h1-10H,11H2,(H2,20,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea?
1-(4-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea has a molecular weight of 344.78 g/mol, XLogP of 4.37, 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-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea is sourced from PubChem (CID 19405700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).