N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide

C18H24N4O3S — CID 175650104

IUPACN,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCN(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C18H24N4O3S/c1-20-12-14(11-19-20)18(23)21(2)16-5-4-10-22(13-16)15-6-8-17(9-7-15)26(3,24)25/h6-9,11-12,16H,4-5,10,13H2,1-3H3
InChIKeyOENDHVNLGLCMNE-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.56
Rot. Bonds4

About N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide

N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 175650104) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID175650104
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCN(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C18H24N4O3S/c1-20-12-14(11-19-20)18(23)21(2)16-5-4-10-22(13-16)15-6-8-17(9-7-15)26(3,24)25/h6-9,11-12,16H,4-5,10,13H2,1-3H3
InChIKeyOENDHVNLGLCMNE-UHFFFAOYSA-N
XLogP1.56
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide (CID 175650104) is N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCCN(c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is OENDHVNLGLCMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-20-12-14(11-19-20)18(23)21(2)16-5-4-10-22(13-16)15-6-8-17(9-7-15)26(3,24)25/h6-9,11-12,16H,4-5,10,13H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 175650104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).