N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide

C12H19N3O3S — CID 175088178

IUPACN-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)C1CCC(CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)10-4-2-9(3-5-10)8-13-12(16)11-6-7-14-15-11/h6-7,9-10H,2-5,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyBIZHVRNILLCUHL-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.74
Rot. Bonds4

About N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide

N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 175088178) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID175088178
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)C1CCC(CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)10-4-2-9(3-5-10)8-13-12(16)11-6-7-14-15-11/h6-7,9-10H,2-5,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyBIZHVRNILLCUHL-UHFFFAOYSA-N
XLogP0.74
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide (CID 175088178) is N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide is CS(=O)(=O)C1CCC(CNC(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BIZHVRNILLCUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-19(17,18)10-4-2-9(3-5-10)8-13-12(16)11-6-7-14-15-11/h6-7,9-10H,2-5,8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 175088178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).