N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C19H23N5O — CID 172933961

IUPACN-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(Cc3ccc(C#N)cc3)C2)nn1C
InChIInChI=1S/C19H23N5O/c1-14-10-18(22-23(14)2)19(25)21-17-4-3-9-24(13-17)12-16-7-5-15(11-20)6-8-16/h5-8,10,17H,3-4,9,12-13H2,1-2H3,(H,21,25)
InChIKeyXGKIWQTWYIWIGE-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.99
Rot. Bonds4

About N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 172933961) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID172933961
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(Cc3ccc(C#N)cc3)C2)nn1C
InChIInChI=1S/C19H23N5O/c1-14-10-18(22-23(14)2)19(25)21-17-4-3-9-24(13-17)12-16-7-5-15(11-20)6-8-16/h5-8,10,17H,3-4,9,12-13H2,1-2H3,(H,21,25)
InChIKeyXGKIWQTWYIWIGE-UHFFFAOYSA-N
XLogP1.99
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide
CID 42382294
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172900633
N-[1-[(3-cyanophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933813
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 45209259
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
4-[[3-[(4-methylpyrimidin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 171994900
4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237
4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107205

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 172933961) is N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(Cc3ccc(C#N)cc3)C2)nn1C.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is XGKIWQTWYIWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-10-18(22-23(14)2)19(25)21-17-4-3-9-24(13-17)12-16-7-5-15(11-20)6-8-16/h5-8,10,17H,3-4,9,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172933961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).