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

C18H24N4O3S — CID 172902444

IUPACN,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-20-11-10-17(19-20)18(23)21(2)14-8-12-22(13-9-14)15-4-6-16(7-5-15)26(3,24)25/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyHBLAUUPRLBNGGP-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.56
Rot. Bonds4

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

N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 172902444) 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-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID172902444
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H24N4O3S/c1-20-11-10-17(19-20)18(23)21(2)14-8-12-22(13-9-14)15-4-6-16(7-5-15)26(3,24)25/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyHBLAUUPRLBNGGP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide (CID 172902444) is N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide is CN(C(=O)c1ccn(C)n1)C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is HBLAUUPRLBNGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-20-11-10-17(19-20)18(23)21(2)14-8-12-22(13-9-14)15-4-6-16(7-5-15)26(3,24)25/h4-7,10-11,14H,8-9,12-13H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide?
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-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-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172902444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).