N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

C20H24N6O3S — CID 140559193

IUPACN-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(CNC(=O)c3ccn[nH]3)(c3ccccc3)C2)c1
InChIInChI=1S/C20H24N6O3S/c1-25-12-18(22-15-25)30(28,29)26-11-5-9-20(14-26,16-6-3-2-4-7-16)13-21-19(27)17-8-10-23-24-17/h2-4,6-8,10,12,15H,5,9,11,13-14H2,1H3,(H,21,27)(H,23,24)
InChIKeyZVJSHWFJQURFNI-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.30
Rot. Bonds6

About N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 140559193) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID140559193
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC NameN-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(CNC(=O)c3ccn[nH]3)(c3ccccc3)C2)c1
InChIInChI=1S/C20H24N6O3S/c1-25-12-18(22-15-25)30(28,29)26-11-5-9-20(14-26,16-6-3-2-4-7-16)13-21-19(27)17-8-10-23-24-17/h2-4,6-8,10,12,15H,5,9,11,13-14H2,1H3,(H,21,27)(H,23,24)
InChIKeyZVJSHWFJQURFNI-UHFFFAOYSA-N
XLogP1.30
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (CID 140559193) is N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC(CNC(=O)c3ccn[nH]3)(c3ccccc3)C2)c1.
What is the InChIKey of N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZVJSHWFJQURFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-25-12-18(22-15-25)30(28,29)26-11-5-9-20(14-26,16-6-3-2-4-7-16)13-21-19(27)17-8-10-23-24-17/h2-4,6-8,10,12,15H,5,9,11,13-14H2,1H3,(H,21,27)(H,23,24).
What are the key properties of N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 140559193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).