1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea

C16H19ClN4O2 — CID 110896821

IUPAC1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)NC1CCC(O)CC1
InChIInChI=1S/C16H19ClN4O2/c17-13-3-1-4-14(15(13)21-10-2-9-18-21)20-16(23)19-11-5-7-12(22)8-6-11/h1-4,9-12,22H,5-8H2,(H2,19,20,23)
InChIKeyAWGUEMQLAKJJEQ-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.95
Rot. Bonds3

About 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea

1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 110896821) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID110896821
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cccc(Cl)c1-n1cccn1)NC1CCC(O)CC1
InChIInChI=1S/C16H19ClN4O2/c17-13-3-1-4-14(15(13)21-10-2-9-18-21)20-16(23)19-11-5-7-12(22)8-6-11/h1-4,9-12,22H,5-8H2,(H2,19,20,23)
InChIKeyAWGUEMQLAKJJEQ-UHFFFAOYSA-N
XLogP2.95
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 129402912
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110902856
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040924
2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569144
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 107144309
N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide
CID 87007071
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51118900
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea
CID 111473882

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea (CID 110896821) is 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea is O=C(Nc1cccc(Cl)c1-n1cccn1)NC1CCC(O)CC1.
What is the InChIKey of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is AWGUEMQLAKJJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-13-3-1-4-14(15(13)21-10-2-9-18-21)20-16(23)19-11-5-7-12(22)8-6-11/h1-4,9-12,22H,5-8H2,(H2,19,20,23).
What are the key properties of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea?
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea has a molecular weight of 334.81 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 110896821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).