5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide

C16H20N4O — CID 119427580

IUPAC5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2)cnn1-c1ccccc1
InChIInChI=1S/C16H20N4O/c1-12-15(16(21)19-13-6-5-9-17-10-13)11-18-20(12)14-7-3-2-4-8-14/h2-4,7-8,11,13,17H,5-6,9-10H2,1H3,(H,19,21)
InChIKeyYXTPHVLBDOGLJZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.66
Rot. Bonds3

About 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide

5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide (PubChem CID 119427580) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
PubChem CID119427580
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2)cnn1-c1ccccc1
InChIInChI=1S/C16H20N4O/c1-12-15(16(21)19-13-6-5-9-17-10-13)11-18-20(12)14-7-3-2-4-8-14/h2-4,7-8,11,13,17H,5-6,9-10H2,1H3,(H,19,21)
InChIKeyYXTPHVLBDOGLJZ-UHFFFAOYSA-N
XLogP1.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451537
1-(3-chlorophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451648
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119387104
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409
cis-(1S,2R)-2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146107820
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111696391
5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 115044845

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide (CID 119427580) is 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide is Cc1c(C(=O)NC2CCCNC2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The InChIKey is YXTPHVLBDOGLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-15(16(21)19-13-6-5-9-17-10-13)11-18-20(12)14-7-3-2-4-8-14/h2-4,7-8,11,13,17H,5-6,9-10H2,1H3,(H,19,21).
What are the key properties of 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide?
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119427580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).