N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide

C10H17N3O3S — CID 97351296

IUPACN-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide
SMILESCC[C@H](C)S(=O)(=O)NC(=O)c1cnn(C)c1C
InChIInChI=1S/C10H17N3O3S/c1-5-7(2)17(15,16)12-10(14)9-6-11-13(4)8(9)3/h6-7H,5H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKeyPNKJKHQQWOPTQD-ZETCQYMHSA-N
MW259.33 g/mol
LogP0.59
Rot. Bonds4

About N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide

N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 97351296) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide
PubChem CID97351296
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide
SMILESCC[C@H](C)S(=O)(=O)NC(=O)c1cnn(C)c1C
InChIInChI=1S/C10H17N3O3S/c1-5-7(2)17(15,16)12-10(14)9-6-11-13(4)8(9)3/h6-7H,5H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKeyPNKJKHQQWOPTQD-ZETCQYMHSA-N
XLogP0.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
(1,5-Dimethylpyrazol-4-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 47027844
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 84592716
N-(tert-butyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 42352825
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 91911097
5-methyl-1-(3-methylbutyl)-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 177679979
1,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazole-4-carboxamide
CID 45808902
N-[2-(isobutylsulfonyl)ethyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 77081118
1-ethyl-N-[(2S)-4-methylpentan-2-yl]sulfonyl-3-propan-2-ylpyrazole-4-carboxamide
CID 96441496
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 97148381
3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide
CID 136543514

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide (CID 97351296) is N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide is CC[C@H](C)S(=O)(=O)NC(=O)c1cnn(C)c1C.
What is the InChIKey of N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is PNKJKHQQWOPTQD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-5-7(2)17(15,16)12-10(14)9-6-11-13(4)8(9)3/h6-7H,5H2,1-4H3,(H,12,14)/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide?
N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]sulfonyl-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 97351296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).