N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C19H20N4O2 — CID 27556068

IUPACN-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C19H20N4O2/c1-25-12-6-11-21-19(24)17-14-23(16-8-3-2-4-9-16)22-18(17)15-7-5-10-20-13-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,24)
InChIKeyZSSXELFOVXOVBK-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.70
Rot. Bonds7

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

N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 27556068) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID27556068
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C19H20N4O2/c1-25-12-6-11-21-19(24)17-14-23(16-8-3-2-4-9-16)22-18(17)15-7-5-10-20-13-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,24)
InChIKeyZSSXELFOVXOVBK-UHFFFAOYSA-N
XLogP2.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-pyridin-3-yl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 56535064
1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17435310
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481
N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 29432402
(E)-N-(3-methoxypropyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 35742758
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55877892
methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 2381703
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 31366325
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 27556068) is N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is COCCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is ZSSXELFOVXOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-12-6-11-21-19(24)17-14-23(16-8-3-2-4-9-16)22-18(17)15-7-5-10-20-13-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,24).
What are the key properties of N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 27556068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).