N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide

C16H20N4O — CID 120599049

IUPACN-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC1CC(NC(=O)c2cc(-c3ccccc3)n[nH]2)CCN1
InChIInChI=1S/C16H20N4O/c1-11-9-13(7-8-17-11)18-16(21)15-10-14(19-20-15)12-5-3-2-4-6-12/h2-6,10-11,13,17H,7-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyXEKSRAZAEBXHNI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.95
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 120599049) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID120599049
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC1CC(NC(=O)c2cc(-c3ccccc3)n[nH]2)CCN1
InChIInChI=1S/C16H20N4O/c1-11-9-13(7-8-17-11)18-16(21)15-10-14(19-20-15)12-5-3-2-4-6-12/h2-6,10-11,13,17H,7-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyXEKSRAZAEBXHNI-UHFFFAOYSA-N
XLogP1.95
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120600855
cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678002
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 98783386
cis-(1S,3R)-3-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677069
N-(2-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 120598684
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74237167
N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 120598205
4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120597856
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 114630661
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 120599049) is N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide is CC1CC(NC(=O)c2cc(-c3ccccc3)n[nH]2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is XEKSRAZAEBXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-9-13(7-8-17-11)18-16(21)15-10-14(19-20-15)12-5-3-2-4-6-12/h2-6,10-11,13,17H,7-9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 120599049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).