N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C19H20N4O — CID 1087057

IUPACN,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C19H20N4O/c1-3-22(4-2)19(24)17-14-23(16-10-6-5-7-11-16)21-18(17)15-9-8-12-20-13-15/h5-14H,3-4H2,1-2H3
InChIKeyRXNYETUBXGYSOA-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.42
Rot. Bonds5

About N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 1087057) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID1087057
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C19H20N4O/c1-3-22(4-2)19(24)17-14-23(16-10-6-5-7-11-16)21-18(17)15-9-8-12-20-13-15/h5-14H,3-4H2,1-2H3
InChIKeyRXNYETUBXGYSOA-UHFFFAOYSA-N
XLogP3.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17411184
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 7535671
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-phenyl-N-propyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26004045
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 22110546
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 17392908
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 1087057) is N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is RXNYETUBXGYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-22(4-2)19(24)17-14-23(16-10-6-5-7-11-16)21-18(17)15-9-8-12-20-13-15/h5-14H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 1087057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).