1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea

C13H15ClN4O2 — CID 75483645

IUPAC1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
SMILESCc1cc(NC(=O)NCCO)nn1-c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O2/c1-9-7-12(16-13(20)15-5-6-19)17-18(9)11-4-2-3-10(14)8-11/h2-4,7-8,19H,5-6H2,1H3,(H2,15,16,17,20)
InChIKeyJANMIYDZGUSUGA-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.95
Rot. Bonds4

About 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea

1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea (PubChem CID 75483645) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
PubChem CID75483645
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
SMILESCc1cc(NC(=O)NCCO)nn1-c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O2/c1-9-7-12(16-13(20)15-5-6-19)17-18(9)11-4-2-3-10(14)8-11/h2-4,7-8,19H,5-6H2,1H3,(H2,15,16,17,20)
InChIKeyJANMIYDZGUSUGA-UHFFFAOYSA-N
XLogP1.95
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
CID 136554209
4-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoylamino]butanoic acid
CID 122089041
1-tert-butyl-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]triazole-4-carboxamide
CID 126810236
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(2-hydroxyethyl)urea
CID 48741757
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019
1-[[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102762
2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419701
1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
CID 97338956
1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110002325
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea (CID 75483645) is 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea is Cc1cc(NC(=O)NCCO)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is JANMIYDZGUSUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-9-7-12(16-13(20)15-5-6-19)17-18(9)11-4-2-3-10(14)8-11/h2-4,7-8,19H,5-6H2,1H3,(H2,15,16,17,20).
What are the key properties of 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea?
1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 294.74 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 75483645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).