N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide

C19H20N4O2S — CID 99607094

IUPACN-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESCc1ccc(-n2cc(S(=O)(=O)N(CC3CC3)c3cccnc3)cn2)cc1
InChIInChI=1S/C19H20N4O2S/c1-15-4-8-17(9-5-15)22-14-19(12-21-22)26(24,25)23(13-16-6-7-16)18-3-2-10-20-11-18/h2-5,8-12,14,16H,6-7,13H2,1H3
InChIKeyXEJBJBAROUHUIO-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.18
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide

N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide (PubChem CID 99607094) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
PubChem CID99607094
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
SMILESCc1ccc(-n2cc(S(=O)(=O)N(CC3CC3)c3cccnc3)cn2)cc1
InChIInChI=1S/C19H20N4O2S/c1-15-4-8-17(9-5-15)22-14-19(12-21-22)26(24,25)23(13-16-6-7-16)18-3-2-10-20-11-18/h2-5,8-12,14,16H,6-7,13H2,1H3
InChIKeyXEJBJBAROUHUIO-UHFFFAOYSA-N
XLogP3.18
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-(cyclopropylmethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 99607064
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 95344226
(2S,4R)-2-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 124694947
[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide
CID 97257956
N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 171133561
N-methyl-1-[1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990922
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride
CID 119981903
N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 119979118
N-ethyl-1-(1-methylsulfonylazetidin-3-yl)-N-pyridin-3-ylmethanesulfonamide
CID 154784732
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110360457

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide (CID 99607094) is N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide is Cc1ccc(-n2cc(S(=O)(=O)N(CC3CC3)c3cccnc3)cn2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide?
The InChIKey is XEJBJBAROUHUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-15-4-8-17(9-5-15)22-14-19(12-21-22)26(24,25)23(13-16-6-7-16)18-3-2-10-20-11-18/h2-5,8-12,14,16H,6-7,13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide?
N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 99607094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).