N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H20N4O3S — CID 51090844

IUPACN-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)n[nH]1
InChIInChI=1S/C16H20N4O3S/c1-10(2)14-9-15(19-18-14)16(21)17-11-5-7-13(8-6-11)24(22,23)20-12-3-4-12/h5-10,12,20H,3-4H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyGKIVPXIIZAMXPV-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.23
Rot. Bonds6

About N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 51090844) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID51090844
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)n[nH]1
InChIInChI=1S/C16H20N4O3S/c1-10(2)14-9-15(19-18-14)16(21)17-11-5-7-13(8-6-11)24(22,23)20-12-3-4-12/h5-10,12,20H,3-4H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyGKIVPXIIZAMXPV-UHFFFAOYSA-N
XLogP2.23
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
3-methylsulfonyl-5-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]benzoic acid
CID 119257679
4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide
CID 56566087
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
CID 61252074
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-[4-(cyclopentylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 648289
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678
4-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26701623
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 2228727
N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56787958

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 51090844) is N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)n[nH]1.
What is the InChIKey of N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GKIVPXIIZAMXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10(2)14-9-15(19-18-14)16(21)17-11-5-7-13(8-6-11)24(22,23)20-12-3-4-12/h5-10,12,20H,3-4H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51090844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).