1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

C18H17ClN4O — CID 1298251

IUPAC1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H17ClN4O/c1-13-16(19)7-3-8-17(13)22-18(24)21-15-6-2-5-14(11-15)12-23-10-4-9-20-23/h2-11H,12H2,1H3,(H2,21,22,24)
InChIKeyQUTSMVBQWNIXNH-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.54
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea

1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 1298251) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID1298251
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C18H17ClN4O/c1-13-16(19)7-3-8-17(13)22-18(24)21-15-6-2-5-14(11-15)12-23-10-4-9-20-23/h2-11H,12H2,1H3,(H2,21,22,24)
InChIKeyQUTSMVBQWNIXNH-UHFFFAOYSA-N
XLogP4.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-N'-(1-methyl-1H-indazol-4-yl)urea
CID 22337589
N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-chlorophenyl)urea
CID 9822580
N-(3-chloro-4-methylphenyl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193477
N-[2-[3-(3-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518263
N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529309
N-[2-[3-(4-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155555275
N~1~-(3-chloro-4-methylphenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
CID 16012174
N-(3-chloro-2-methylphenyl)-N'-[(1-ethyl-1H-pyrazol-4-yl)methyl]thiourea
CID 970584
N-(3-chloro-2-methylphenyl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193449
N-(3-chloro-4-methylphenyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026436

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea (CID 1298251) is 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is Cc1c(Cl)cccc1NC(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is QUTSMVBQWNIXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-13-16(19)7-3-8-17(13)22-18(24)21-15-6-2-5-14(11-15)12-23-10-4-9-20-23/h2-11H,12H2,1H3,(H2,21,22,24).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea?
1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 340.81 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 1298251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).