N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C21H20N6O — CID 29432402

IUPACN-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C21H20N6O/c28-21(24-10-5-12-26-13-11-23-16-26)19-15-27(18-7-2-1-3-8-18)25-20(19)17-6-4-9-22-14-17/h1-4,6-9,11,13-16H,5,10,12H2,(H,24,28)
InChIKeyNPSDWXDHAXHNQW-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.95
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 29432402) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID29432402
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C21H20N6O/c28-21(24-10-5-12-26-13-11-23-16-26)19-15-27(18-7-2-1-3-8-18)25-20(19)17-6-4-9-22-14-17/h1-4,6-9,11,13-16H,5,10,12H2,(H,24,28)
InChIKeyNPSDWXDHAXHNQW-UHFFFAOYSA-N
XLogP2.95
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55976787
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481
1-phenyl-3-pyridin-3-yl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 56535064
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
CID 134014151
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55933026
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 29432402) is N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is NPSDWXDHAXHNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(24-10-5-12-26-13-11-23-16-26)19-15-27(18-7-2-1-3-8-18)25-20(19)17-6-4-9-22-14-17/h1-4,6-9,11,13-16H,5,10,12H2,(H,24,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 29432402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).