N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide

C17H21N3O3S — CID 95333196

IUPACN-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESC[C@H](CS(C)(=O)=O)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C17H21N3O3S/c1-13(12-24(2,22)23)20(16-8-9-16)17(21)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-7,10-11,13,16H,8-9,12H2,1-2H3/t13-/m1/s1
InChIKeyDPAQRVJBPKCLKK-CYBMUJFWSA-N
MW347.44 g/mol
LogP1.91
Rot. Bonds6

About N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide

N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 95333196) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID95333196
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESC[C@H](CS(C)(=O)=O)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C17H21N3O3S/c1-13(12-24(2,22)23)20(16-8-9-16)17(21)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-7,10-11,13,16H,8-9,12H2,1-2H3/t13-/m1/s1
InChIKeyDPAQRVJBPKCLKK-CYBMUJFWSA-N
XLogP1.91
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 51956049
5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119129619
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylpyrazole-4-carboxamide
CID 43576931
N-(2-bromoethyl)-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 80666261
N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 131928132
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-(2-bromoethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 80665367
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 134012568
N-(2-bromopropyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 80664984
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 96539492

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide (CID 95333196) is N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide is C[C@H](CS(C)(=O)=O)N(C(=O)c1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is DPAQRVJBPKCLKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13(12-24(2,22)23)20(16-8-9-16)17(21)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-7,10-11,13,16H,8-9,12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide?
N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 95333196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).