4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide

C16H20BrN5O3S — CID 56566087

IUPAC4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide
SMILESCC(C)c1[nH]nc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1Br
InChIInChI=1S/C16H20BrN5O3S/c1-9(2)14-13(17)15(20-19-14)16(23)21-18-10-5-7-12(8-6-10)26(24,25)22-11-3-4-11/h5-9,11,18,22H,3-4H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyKANOZMKZLONTHH-UHFFFAOYSA-N
MW442.34 g/mol
LogP2.49
Rot. Bonds7

About 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide

4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 56566087) has the molecular formula C16H20BrN5O3S and a molecular weight of 442.34 g/mol. Its IUPAC name is 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide
PubChem CID56566087
Molecular FormulaC16H20BrN5O3S
Molecular Weight442.34 g/mol
Exact Mass441.05
IUPAC Name4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide
SMILESCC(C)c1[nH]nc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1Br
InChIInChI=1S/C16H20BrN5O3S/c1-9(2)14-13(17)15(20-19-14)16(23)21-18-10-5-7-12(8-6-10)26(24,25)22-11-3-4-11/h5-9,11,18,22H,3-4H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyKANOZMKZLONTHH-UHFFFAOYSA-N
XLogP2.49
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 51090844
N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide
CID 56502755
4-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567227
4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 119452554
N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide
CID 56503137
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide
CID 56503653
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
CID 61252074
N-cyclopropyl-4-[2-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]hydrazinyl]benzenesulfonamide
CID 56503643
4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 56504410
N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide
CID 56503129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide (CID 56566087) is 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide is CC(C)c1[nH]nc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1Br.
What is the InChIKey of 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is KANOZMKZLONTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O3S/c1-9(2)14-13(17)15(20-19-14)16(23)21-18-10-5-7-12(8-6-10)26(24,25)22-11-3-4-11/h5-9,11,18,22H,3-4H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide?
4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 442.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 56566087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).