N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

C13H19N3O4S — CID 136538400

IUPACN-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)C2CCC2)c(C2CCOC2)n1
InChIInChI=1S/C13H19N3O4S/c1-16-7-11(12(14-16)9-5-6-20-8-9)13(17)15-21(18,19)10-3-2-4-10/h7,9-10H,2-6,8H2,1H3,(H,15,17)
InChIKeyOGNKZDSOJQXSRU-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.54
Rot. Bonds4

About N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 136538400) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID136538400
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)C2CCC2)c(C2CCOC2)n1
InChIInChI=1S/C13H19N3O4S/c1-16-7-11(12(14-16)9-5-6-20-8-9)13(17)15-21(18,19)10-3-2-4-10/h7,9-10H,2-6,8H2,1H3,(H,15,17)
InChIKeyOGNKZDSOJQXSRU-UHFFFAOYSA-N
XLogP0.54
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide
CID 136542046
N-[(4,4-dimethylcyclohexyl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129341540
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
CID 128995752
N-[1-(3,5-dimethylphenyl)ethyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 128992476
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 129472548
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129477481
1-methyl-3-(oxolan-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 128965565
1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
CID 129471970
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 167848659
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide
CID 129477879

Frequently Asked Questions

What is the IUPAC name of N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (CID 136538400) is N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)C2CCC2)c(C2CCOC2)n1.
What is the InChIKey of N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is OGNKZDSOJQXSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-16-7-11(12(14-16)9-5-6-20-8-9)13(17)15-21(18,19)10-3-2-4-10/h7,9-10H,2-6,8H2,1H3,(H,15,17).
What are the key properties of N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 136538400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).