1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea

C11H8ClN5O — CID 79504510

IUPAC1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea
SMILESN#Cc1cn[nH]c1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H8ClN5O/c12-8-2-1-3-9(4-8)15-11(18)16-10-7(5-13)6-14-17-10/h1-4,6H,(H3,14,15,16,17,18)
InChIKeyPRRRLPDQWXRJBU-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.58
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea

1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea (PubChem CID 79504510) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea
PubChem CID79504510
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea
SMILESN#Cc1cn[nH]c1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H8ClN5O/c12-8-2-1-3-9(4-8)15-11(18)16-10-7(5-13)6-14-17-10/h1-4,6H,(H3,14,15,16,17,18)
InChIKeyPRRRLPDQWXRJBU-UHFFFAOYSA-N
XLogP2.58
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
1-(4-cyano-1H-pyrazol-5-yl)-3-(2-fluorophenyl)urea
CID 79503483
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
CID 110874440
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
1-(3-chlorophenyl)-3-(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 3347051
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-chlorophenyl)-N'-(2-cyanophenyl)propanediamide
CID 108955002
4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 110473991
CID 73055968
CID 73055968

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea (CID 79504510) is 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea is N#Cc1cn[nH]c1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea?
The InChIKey is PRRRLPDQWXRJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c12-8-2-1-3-9(4-8)15-11(18)16-10-7(5-13)6-14-17-10/h1-4,6H,(H3,14,15,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea?
1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea has a molecular weight of 261.67 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea is sourced from PubChem (CID 79504510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).