N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C13H24N4O3S — CID 65389011

IUPACN-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)CC(C)(C)C)c1S(N)(=O)=O
InChIInChI=1S/C13H24N4O3S/c1-8(2)9-11(21(14,19)20)10(16-15-9)12(18)17(6)7-13(3,4)5/h8H,7H2,1-6H3,(H,15,16)(H2,14,19,20)
InChIKeyMQYNWGQYDNOGEJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.30
Rot. Bonds4

About N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65389011) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65389011
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)CC(C)(C)C)c1S(N)(=O)=O
InChIInChI=1S/C13H24N4O3S/c1-8(2)9-11(21(14,19)20)10(16-15-9)12(18)17(6)7-13(3,4)5/h8H,7H2,1-6H3,(H,15,16)(H2,14,19,20)
InChIKeyMQYNWGQYDNOGEJ-UHFFFAOYSA-N
XLogP1.30
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 104766756
4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 111543229
N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373634
3-[cyclopropylmethyl(methyl)carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65372701
2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 106207163
pentyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65382504
3-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65396865
5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 81063691
3-(diethylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65368456
N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388696
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65389011) is N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(C)CC(C)(C)C)c1S(N)(=O)=O.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is MQYNWGQYDNOGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-8(2)9-11(21(14,19)20)10(16-15-9)12(18)17(6)7-13(3,4)5/h8H,7H2,1-6H3,(H,15,16)(H2,14,19,20).
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65389011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).