N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C12H20N4O3S — CID 65373285

IUPACN-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-3-4-7-16(2)12(17)10-11(20(13,18)19)9(14-15-10)8-5-6-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeyZDDSJFOFZRXCJF-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.81
Rot. Bonds6

About N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65373285) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65373285
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-3-4-7-16(2)12(17)10-11(20(13,18)19)9(14-15-10)8-5-6-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeyZDDSJFOFZRXCJF-UHFFFAOYSA-N
XLogP0.81
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389215
4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62075477
N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387338
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65371164
5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388559
5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382203
4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381478
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
CID 65374240

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65373285) is N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCCCN(C)C(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O.
What is the InChIKey of N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZDDSJFOFZRXCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-4-7-16(2)12(17)10-11(20(13,18)19)9(14-15-10)8-5-6-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,13,18,19).
What are the key properties of N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65373285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).