N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H25N3O3S — CID 71851108

IUPACN-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C2CCCCC2S(C)(=O)=O)n[nH]1
InChIInChI=1S/C15H25N3O3S/c1-10(2)11-9-12(17-16-11)15(19)18(3)13-7-5-6-8-14(13)22(4,20)21/h9-10,13-14H,5-8H2,1-4H3,(H,16,17)
InChIKeyPEWSVOWHRVALHS-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.96
Rot. Bonds4

About N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 71851108) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID71851108
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C2CCCCC2S(C)(=O)=O)n[nH]1
InChIInChI=1S/C15H25N3O3S/c1-10(2)11-9-12(17-16-11)15(19)18(3)13-7-5-6-8-14(13)22(4,20)21/h9-10,13-14H,5-8H2,1-4H3,(H,16,17)
InChIKeyPEWSVOWHRVALHS-UHFFFAOYSA-N
XLogP1.96
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 71851108) is N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N(C)C2CCCCC2S(C)(=O)=O)n[nH]1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is PEWSVOWHRVALHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-10(2)11-9-12(17-16-11)15(19)18(3)13-7-5-6-8-14(13)22(4,20)21/h9-10,13-14H,5-8H2,1-4H3,(H,16,17).
What are the key properties of N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylcyclohexyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71851108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).