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

C16H19ClN4O2 — CID 56824179

IUPAC1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1ccc(-n2cccn2)c(Cl)c1)NC1CCC(O)CC1
InChIInChI=1S/C16H19ClN4O2/c17-14-10-12(4-7-15(14)21-9-1-8-18-21)20-16(23)19-11-2-5-13(22)6-3-11/h1,4,7-11,13,22H,2-3,5-6H2,(H2,19,20,23)
InChIKeyBRAHCNDJLFKXFF-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.95
Rot. Bonds3

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

1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 56824179) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID56824179
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1ccc(-n2cccn2)c(Cl)c1)NC1CCC(O)CC1
InChIInChI=1S/C16H19ClN4O2/c17-14-10-12(4-7-15(14)21-9-1-8-18-21)20-16(23)19-11-2-5-13(22)6-3-11/h1,4,7-11,13,22H,2-3,5-6H2,(H2,19,20,23)
InChIKeyBRAHCNDJLFKXFF-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea (CID 56824179) is 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea is O=C(Nc1ccc(-n2cccn2)c(Cl)c1)NC1CCC(O)CC1.
What is the InChIKey of 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is BRAHCNDJLFKXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-14-10-12(4-7-15(14)21-9-1-8-18-21)20-16(23)19-11-2-5-13(22)6-3-11/h1,4,7-11,13,22H,2-3,5-6H2,(H2,19,20,23).
What are the key properties of 1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea?
1-(3-chloro-4-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-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 56824179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).