N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C12H16N4O2S — CID 54877056

IUPACN-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)N(Cc1cccnc1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-10(2)16(9-11-4-3-5-13-6-11)19(17,18)12-7-14-15-8-12/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyNMXVPQIAQWFTKH-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.40
Rot. Bonds5

About N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide

N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54877056) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54877056
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)N(Cc1cccnc1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-10(2)16(9-11-4-3-5-13-6-11)19(17,18)12-7-14-15-8-12/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyNMXVPQIAQWFTKH-UHFFFAOYSA-N
XLogP1.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.40
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
2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61047395
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
(2R)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-N-oxobutanamide
CID 23585918
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
CID 23657693
4-(hydroxymethyl)-N-(1-hydroxy-4-methyl-2-oxopentan-3-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 163928939
2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 60530970
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47268286
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040
(2R)-N-(111C)methoxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 10971531

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 54877056) is N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide is CC(C)N(Cc1cccnc1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is NMXVPQIAQWFTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-10(2)16(9-11-4-3-5-13-6-11)19(17,18)12-7-14-15-8-12/h3-8,10H,9H2,1-2H3,(H,14,15).
What are the key properties of N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54877056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).