N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide

C15H21N3O2S — CID 97097944

IUPACN-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESCCC[C@@H](C)c1cc(NS(=O)(=O)Cc2ccccc2)n[nH]1
InChIInChI=1S/C15H21N3O2S/c1-3-7-12(2)14-10-15(17-16-14)18-21(19,20)11-13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11H2,1-2H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyOIPQWCDEOICDCT-GFCCVEGCSA-N
MW307.42 g/mol
LogP3.26
Rot. Bonds7

About N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide

N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide (PubChem CID 97097944) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide
PubChem CID97097944
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESCCC[C@@H](C)c1cc(NS(=O)(=O)Cc2ccccc2)n[nH]1
InChIInChI=1S/C15H21N3O2S/c1-3-7-12(2)14-10-15(17-16-14)18-21(19,20)11-13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11H2,1-2H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyOIPQWCDEOICDCT-GFCCVEGCSA-N
XLogP3.26
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620764
methyl 4-chloro-2-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
CID 139006653
methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
CID 71852019
methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
CID 154799189
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 112699300
1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115698303
1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621218
2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide
CID 91331506
N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 71989878
1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104616865
1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821706
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide
CID 75442539

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide (CID 97097944) is N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide is CCC[C@@H](C)c1cc(NS(=O)(=O)Cc2ccccc2)n[nH]1.
What is the InChIKey of N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is OIPQWCDEOICDCT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-7-12(2)14-10-15(17-16-14)18-21(19,20)11-13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11H2,1-2H3,(H2,16,17,18)/t12-/m1/s1.
What are the key properties of N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide?
N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 97097944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).