N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide

C18H18N4O — CID 134800103

IUPACN-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc(-c2ccncc2)nn1-c1ccccc1
InChIInChI=1S/C18H18N4O/c1-2-6-18(23)20-17-13-16(14-9-11-19-12-10-14)21-22(17)15-7-4-3-5-8-15/h3-5,7-13H,2,6H2,1H3,(H,20,23)
InChIKeyVVRPTFXDSNKTKK-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.67
Rot. Bonds5

About N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide

N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide (PubChem CID 134800103) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
PubChem CID134800103
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc(-c2ccncc2)nn1-c1ccccc1
InChIInChI=1S/C18H18N4O/c1-2-6-18(23)20-17-13-16(14-9-11-19-12-10-14)21-22(17)15-7-4-3-5-8-15/h3-5,7-13H,2,6H2,1H3,(H,20,23)
InChIKeyVVRPTFXDSNKTKK-UHFFFAOYSA-N
XLogP3.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134798763
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 42976671
2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134796816
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
N'-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-N-pentylpentanediamide
CID 4543622
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772360
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42732056
2-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 51243459
N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
CID 5131615
N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide
CID 4275920

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide?
The IUPAC name of N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide (CID 134800103) is N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide.
What is the SMILES notation for N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide?
The canonical SMILES for N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide is CCCC(=O)Nc1cc(-c2ccncc2)nn1-c1ccccc1.
What is the InChIKey of N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide?
The InChIKey is VVRPTFXDSNKTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-6-18(23)20-17-13-16(14-9-11-19-12-10-14)21-22(17)15-7-4-3-5-8-15/h3-5,7-13H,2,6H2,1H3,(H,20,23).
What are the key properties of N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide?
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide has a molecular weight of 306.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide is sourced from PubChem (CID 134800103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).