1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea

C13H15ClN4O2 — CID 111458977

IUPAC1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C13H15ClN4O2/c14-11-4-1-2-5-12(11)18-9-10(8-16-18)17-13(20)15-6-3-7-19/h1-2,4-5,8-9,19H,3,6-7H2,(H2,15,17,20)
InChIKeyZAGVWXBEMIVBNU-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.03
Rot. Bonds5

About 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea

1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea (PubChem CID 111458977) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
PubChem CID111458977
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C13H15ClN4O2/c14-11-4-1-2-5-12(11)18-9-10(8-16-18)17-13(20)15-6-3-7-19/h1-2,4-5,8-9,19H,3,6-7H2,(H2,15,17,20)
InChIKeyZAGVWXBEMIVBNU-UHFFFAOYSA-N
XLogP2.03
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)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

N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[4-(propylcarbamoylamino)phenyl]acetamide
CID 86896735
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-cyanophenyl)urea
CID 86895935
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea
CID 86895938
1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide
CID 110022361
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231
N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]-4-methoxybenzamide
CID 86896456
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
CID 86896466
(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
CID 146122044
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614424
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 56782243
3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
CID 166276212
N-(2-anilino-2-oxoethyl)-1-(2-chlorophenyl)-N-methylpyrazole-4-carboxamide
CID 49160152

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea (CID 111458977) is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea is O=C(NCCCO)Nc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea?
The InChIKey is ZAGVWXBEMIVBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c14-11-4-1-2-5-12(11)18-9-10(8-16-18)17-13(20)15-6-3-7-19/h1-2,4-5,8-9,19H,3,6-7H2,(H2,15,17,20).
What are the key properties of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea?
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea has a molecular weight of 294.74 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111458977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).