1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea

C18H19ClN6O — CID 96529213

IUPAC1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea
SMILESO=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@@H]1CCC[C@@H]1n1ccnc1
InChIInChI=1S/C18H19ClN6O/c19-14-11-13(5-6-16(14)25-9-2-7-21-25)22-18(26)23-15-3-1-4-17(15)24-10-8-20-12-24/h2,5-12,15,17H,1,3-4H2,(H2,22,23,26)/t15-,17+/m1/s1
InChIKeyCUIOBYDOEYRVNI-WBVHZDCISA-N
MW370.84 g/mol
LogP3.64
Rot. Bonds4

About 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea

1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea (PubChem CID 96529213) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea
PubChem CID96529213
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea
SMILESO=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@@H]1CCC[C@@H]1n1ccnc1
InChIInChI=1S/C18H19ClN6O/c19-14-11-13(5-6-16(14)25-9-2-7-21-25)22-18(26)23-15-3-1-4-17(15)24-10-8-20-12-24/h2,5-12,15,17H,1,3-4H2,(H2,22,23,26)/t15-,17+/m1/s1
InChIKeyCUIOBYDOEYRVNI-WBVHZDCISA-N
XLogP3.64
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 96525218
3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide
CID 95572970
1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea
CID 95760446
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-(4-methoxyphenyl)urea
CID 95760441
1-[(3-chloro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122078984
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]acetamide
CID 136587530
3-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119771619
5-chloro-N-(2-imidazol-1-ylcyclopentyl)furan-2-carboxamide
CID 103617988
2-bromo-4-chloro-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 103763911
N'-(3-chloro-4-pyrazol-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95156596
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859229

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea?
The IUPAC name of 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea (CID 96529213) is 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea.
What is the SMILES notation for 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea?
The canonical SMILES for 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea is O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@@H]1CCC[C@@H]1n1ccnc1.
What is the InChIKey of 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea?
The InChIKey is CUIOBYDOEYRVNI-WBVHZDCISA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-14-11-13(5-6-16(14)25-9-2-7-21-25)22-18(26)23-15-3-1-4-17(15)24-10-8-20-12-24/h2,5-12,15,17H,1,3-4H2,(H2,22,23,26)/t15-,17+/m1/s1.
What are the key properties of 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea?
1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea has a molecular weight of 370.84 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea is sourced from PubChem (CID 96529213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).