1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea

C17H21ClN4O2 — CID 71886636

IUPAC1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)n(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-11-9-16(22(2)21-11)20-17(23)19-12-7-8-15(14(18)10-12)24-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,19,20,23)
InChIKeyOKIKHTCWJKMRIT-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.35
Rot. Bonds4

About 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea

1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 71886636) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID71886636
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)n(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-11-9-16(22(2)21-11)20-17(23)19-12-7-8-15(14(18)10-12)24-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,19,20,23)
InChIKeyOKIKHTCWJKMRIT-UHFFFAOYSA-N
XLogP4.35
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)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-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60577123
(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
(2S)-N-(3-chloro-4-cyclopentyloxyphenyl)-2-hydroxy-2-(1-methylpyrazol-4-yl)acetamide
CID 124877193
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431508
2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 60574786
2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120987263
1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 43133017
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea
CID 97349350
N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide
CID 95161860
2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119748052

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea (CID 71886636) is 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)n(C)n1.
What is the InChIKey of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is OKIKHTCWJKMRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11-9-16(22(2)21-11)20-17(23)19-12-7-8-15(14(18)10-12)24-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea has a molecular weight of 348.83 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 71886636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).