N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide

C23H27N5O3S — CID 38040355

IUPACN-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cnn1-c1ccccn1
InChIInChI=1S/C23H27N5O3S/c1-17(2)22-20(16-25-28(22)21-10-6-7-13-24-21)23(29)27-14-11-18(12-15-27)26-32(30,31)19-8-4-3-5-9-19/h3-10,13,16-18,26H,11-12,14-15H2,1-2H3
InChIKeyURHSGAIGVLKMDI-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.97
Rot. Bonds6

About N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide

N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 38040355) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID38040355
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cnn1-c1ccccn1
InChIInChI=1S/C23H27N5O3S/c1-17(2)22-20(16-25-28(22)21-10-6-7-13-24-21)23(29)27-14-11-18(12-15-27)26-32(30,31)19-8-4-3-5-9-19/h3-10,13,16-18,26H,11-12,14-15H2,1-2H3
InChIKeyURHSGAIGVLKMDI-UHFFFAOYSA-N
XLogP2.97
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazine-1-carboxamide
CID 55651023
N-phenyl-4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 55909796
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 56572262
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46491382
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 43070211
2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 136578570
[3-(2-fluoroethoxy)azetidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 126837168
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
4-fluoro-N-[1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 34345790
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46427084
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46445625

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 38040355) is N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide is CC(C)c1c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cnn1-c1ccccn1.
What is the InChIKey of N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is URHSGAIGVLKMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-17(2)22-20(16-25-28(22)21-10-6-7-13-24-21)23(29)27-14-11-18(12-15-27)26-32(30,31)19-8-4-3-5-9-19/h3-10,13,16-18,26H,11-12,14-15H2,1-2H3.
What are the key properties of N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 38040355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).