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

C13H22N4O3S — CID 47910268

IUPACN-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)n[nH]1
InChIInChI=1S/C13H22N4O3S/c1-9(2)11-7-12(16-15-11)13(18)14-10-5-4-6-17(8-10)21(3,19)20/h7,9-10H,4-6,8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyMEVLSEQGSJHBKL-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.69
Rot. Bonds4

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

N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 47910268) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID47910268
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)n[nH]1
InChIInChI=1S/C13H22N4O3S/c1-9(2)11-7-12(16-15-11)13(18)14-10-5-4-6-17(8-10)21(3,19)20/h7,9-10H,4-6,8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyMEVLSEQGSJHBKL-UHFFFAOYSA-N
XLogP0.69
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47910272
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755864
2-[2-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182608
2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 167924107
N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 166351801
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 47910268) is N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCCN(S(C)(=O)=O)C2)n[nH]1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MEVLSEQGSJHBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-9(2)11-7-12(16-15-11)13(18)14-10-5-4-6-17(8-10)21(3,19)20/h7,9-10H,4-6,8H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47910268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).