N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide

C15H19N3O3S — CID 95322595

IUPACN-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)C[C@H](C)NC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O3S/c1-3-22(20,21)11-12(2)16-15(19)14-9-10-18(17-14)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyLLXVIYPVSGSKTO-LBPRGKRZSA-N
MW321.40 g/mol
LogP1.43
Rot. Bonds6

About N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide

N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide (PubChem CID 95322595) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
PubChem CID95322595
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)C[C@H](C)NC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O3S/c1-3-22(20,21)11-12(2)16-15(19)14-9-10-18(17-14)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyLLXVIYPVSGSKTO-LBPRGKRZSA-N
XLogP1.43
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
CID 120702722
4-ethylsulfonyl-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105103910
3-methyl-1-(1-phenylpyrazol-3-yl)hexan-1-one
CID 105091340
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide (CID 95322595) is N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide is CCS(=O)(=O)C[C@H](C)NC(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is LLXVIYPVSGSKTO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-22(20,21)11-12(2)16-15(19)14-9-10-18(17-14)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide?
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 95322595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).