5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide

C13H20N4O3S — CID 65387338

IUPAC5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCC1CC1CN(C)C(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C13H20N4O3S/c1-7-5-9(7)6-17(2)13(18)11-12(21(14,19)20)10(15-16-11)8-3-4-8/h7-9H,3-6H2,1-2H3,(H,15,16)(H2,14,19,20)
InChIKeyIAIFYUMCPKSTCK-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.66
Rot. Bonds5

About 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65387338) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65387338
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCC1CC1CN(C)C(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C13H20N4O3S/c1-7-5-9(7)6-17(2)13(18)11-12(21(14,19)20)10(15-16-11)8-3-4-8/h7-9H,3-6H2,1-2H3,(H,15,16)(H2,14,19,20)
InChIKeyIAIFYUMCPKSTCK-UHFFFAOYSA-N
XLogP0.66
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.66
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
N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373285
5-cyclopropyl-3-[cyclopropylmethyl(methyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 65371164
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65396865
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65397057
4-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 63878192
N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382203
5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65375202
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381478
5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388559

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65387338) is 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide is CC1CC1CN(C)C(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is IAIFYUMCPKSTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-7-5-9(7)6-17(2)13(18)11-12(21(14,19)20)10(15-16-11)8-3-4-8/h7-9H,3-6H2,1-2H3,(H,15,16)(H2,14,19,20).
What are the key properties of 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65387338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).