3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide

C15H22N6O3S — CID 46978635

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCCS(=O)(=O)N2CCCC2)[nH]n1
InChIInChI=1S/C15H22N6O3S/c1-11-12(10-20(2)19-11)13-9-14(18-17-13)15(22)16-5-8-25(23,24)21-6-3-4-7-21/h9-10H,3-8H2,1-2H3,(H,16,22)(H,17,18)
InChIKeyCCVSMMPYNHNBGQ-UHFFFAOYSA-N
MW366.45 g/mol
LogP0.27
Rot. Bonds6

About 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide

3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46978635) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
PubChem CID46978635
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCCS(=O)(=O)N2CCCC2)[nH]n1
InChIInChI=1S/C15H22N6O3S/c1-11-12(10-20(2)19-11)13-9-14(18-17-13)15(22)16-5-8-25(23,24)21-6-3-4-7-21/h9-10H,3-8H2,1-2H3,(H,16,22)(H,17,18)
InChIKeyCCVSMMPYNHNBGQ-UHFFFAOYSA-N
XLogP0.27
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide (CID 46978635) is 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)NCCS(=O)(=O)N2CCCC2)[nH]n1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CCVSMMPYNHNBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-11-12(10-20(2)19-11)13-9-14(18-17-13)15(22)16-5-8-25(23,24)21-6-3-4-7-21/h9-10H,3-8H2,1-2H3,(H,16,22)(H,17,18).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide?
3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46978635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).