5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C13H18N4O2S — CID 60959944

IUPAC5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(Cc1ccccn1)C(C)C
InChIInChI=1S/C13H18N4O2S/c1-10(2)17(9-12-6-4-5-7-14-12)20(18,19)13-8-15-16-11(13)3/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyBACGQLGDQDUICM-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.71
Rot. Bonds5

About 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60959944) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60959944
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(Cc1ccccn1)C(C)C
InChIInChI=1S/C13H18N4O2S/c1-10(2)17(9-12-6-4-5-7-14-12)20(18,19)13-8-15-16-11(13)3/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyBACGQLGDQDUICM-UHFFFAOYSA-N
XLogP1.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268230
3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
CID 103299752
2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61044874
4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63103234
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
5-amino-N-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43565776
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 56790019
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638
methyl 4-[propan-2-yl(pyridin-2-ylmethyl)sulfamoyl]butanoate
CID 61460671
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929716
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 60959944) is 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(Cc1ccccn1)C(C)C.
What is the InChIKey of 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BACGQLGDQDUICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(2)17(9-12-6-4-5-7-14-12)20(18,19)13-8-15-16-11(13)3/h4-8,10H,9H2,1-3H3,(H,15,16).
What are the key properties of 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).