1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea

C15H19ClN4O2 — CID 111473882

IUPAC1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H19ClN4O2/c1-2-5-11(21)10-17-15(22)19-13-7-3-6-12(16)14(13)20-9-4-8-18-20/h3-4,6-9,11,21H,2,5,10H2,1H3,(H2,17,19,22)
InChIKeyOWGJEBXICGASTG-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.81
Rot. Bonds6

About 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea

1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea (PubChem CID 111473882) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea
PubChem CID111473882
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H19ClN4O2/c1-2-5-11(21)10-17-15(22)19-13-7-3-6-12(16)14(13)20-9-4-8-18-20/h3-4,6-9,11,21H,2,5,10H2,1H3,(H2,17,19,22)
InChIKeyOWGJEBXICGASTG-UHFFFAOYSA-N
XLogP2.81
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 107144309
5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
CID 104684217
1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337934
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-4-methylsulfanylbutanamide
CID 61179964
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017
(3R)-1-acetyl-N-(3-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 129402912
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569144
N'-(3-chloro-2-pyrazol-1-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)oxamide
CID 87039522

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea?
The IUPAC name of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea (CID 111473882) is 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea.
What is the SMILES notation for 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea?
The canonical SMILES for 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea is CCCC(O)CNC(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea?
The InChIKey is OWGJEBXICGASTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-2-5-11(21)10-17-15(22)19-13-7-3-6-12(16)14(13)20-9-4-8-18-20/h3-4,6-9,11,21H,2,5,10H2,1H3,(H2,17,19,22).
What are the key properties of 1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea?
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea has a molecular weight of 322.80 g/mol, XLogP of 2.81, 6 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-(2-hydroxypentyl)urea is sourced from PubChem (CID 111473882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).