N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide

C19H20N4O — CID 46426573

IUPACN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccnc1
InChIInChI=1S/C19H20N4O/c1-15-17(14-23(22-15)18-9-3-2-4-10-18)8-6-12-21-19(24)16-7-5-11-20-13-16/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H,21,24)
InChIKeyNEZSALAPFGNEGW-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.94
Rot. Bonds6

About N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide (PubChem CID 46426573) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
PubChem CID46426573
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccnc1
InChIInChI=1S/C19H20N4O/c1-15-17(14-23(22-15)18-9-3-2-4-10-18)8-6-12-21-19(24)16-7-5-11-20-13-16/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H,21,24)
InChIKeyNEZSALAPFGNEGW-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 60511426
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55644256
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
CID 71685784
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 60511369
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
CID 55933539
1-ethyl-3-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxoquinoxaline-6-carboxamide
CID 46426625
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55721607
2-(2-cyanophenyl)sulfanyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 60545040
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55721874
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide (CID 46426573) is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccnc1.
What is the InChIKey of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide?
The InChIKey is NEZSALAPFGNEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15-17(14-23(22-15)18-9-3-2-4-10-18)8-6-12-21-19(24)16-7-5-11-20-13-16/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H,21,24).
What are the key properties of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide?
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 46426573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).