1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea

C17H23N5O3S — CID 126774705

IUPAC1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)Nc2cc(CC3CCCCC3)[nH]n2)cn1
InChIInChI=1S/C17H23N5O3S/c1-26(24,25)16-8-7-13(11-18-16)19-17(23)20-15-10-14(21-22-15)9-12-5-3-2-4-6-12/h7-8,10-12H,2-6,9H2,1H3,(H3,19,20,21,22,23)
InChIKeyIMKNHZHXHVDHME-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.97
Rot. Bonds5

About 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea

1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea (PubChem CID 126774705) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
PubChem CID126774705
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)Nc2cc(CC3CCCCC3)[nH]n2)cn1
InChIInChI=1S/C17H23N5O3S/c1-26(24,25)16-8-7-13(11-18-16)19-17(23)20-15-10-14(21-22-15)9-12-5-3-2-4-6-12/h7-8,10-12H,2-6,9H2,1H3,(H3,19,20,21,22,23)
InChIKeyIMKNHZHXHVDHME-UHFFFAOYSA-N
XLogP2.97
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea?
The IUPAC name of 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea (CID 126774705) is 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea?
The canonical SMILES for 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea is CS(=O)(=O)c1ccc(NC(=O)Nc2cc(CC3CCCCC3)[nH]n2)cn1.
What is the InChIKey of 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea?
The InChIKey is IMKNHZHXHVDHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-26(24,25)16-8-7-13(11-18-16)19-17(23)20-15-10-14(21-22-15)9-12-5-3-2-4-6-12/h7-8,10-12H,2-6,9H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea?
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea has a molecular weight of 377.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea is sourced from PubChem (CID 126774705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).