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

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Related Compounds

1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(methylsulfamoyl)phenyl]urea
CID 126767720
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide
CID 56553247
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 126779463
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 52690357
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
CID 56552988
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide
CID 56552898
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 56552927
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 126781337
2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
CID 55863420
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56552832

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).