N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

C17H19N5O — CID 172933795

IUPACN-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3ccc(C#N)cc3)C2)cn1
InChIInChI=1S/C17H19N5O/c1-21-11-14(10-19-21)17(23)20-15-3-2-8-22(12-15)16-6-4-13(9-18)5-7-16/h4-7,10-11,15H,2-3,8,12H2,1H3,(H,20,23)
InChIKeyVPBQPLWKRMZZNA-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.69
Rot. Bonds3

About N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 172933795) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID172933795
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3ccc(C#N)cc3)C2)cn1
InChIInChI=1S/C17H19N5O/c1-21-11-14(10-19-21)17(23)20-15-3-2-8-22(12-15)16-6-4-13(9-18)5-7-16/h4-7,10-11,15H,2-3,8,12H2,1H3,(H,20,23)
InChIKeyVPBQPLWKRMZZNA-UHFFFAOYSA-N
XLogP1.69
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993635
N-[1-[(3-cyanophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933813
N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993653
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
1-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 171996306
1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171690523
1-methyl-N-[1-(2-phenoxyethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171995331
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993639
1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 171994150

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 172933795) is N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCN(c3ccc(C#N)cc3)C2)cn1.
What is the InChIKey of N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is VPBQPLWKRMZZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-11-14(10-19-21)17(23)20-15-3-2-8-22(12-15)16-6-4-13(9-18)5-7-16/h4-7,10-11,15H,2-3,8,12H2,1H3,(H,20,23).
What are the key properties of N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 172933795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).