N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C27H24N6O2 — CID 30135460

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C27H24N6O2/c1-32(25(34)13-12-24-29-27(31-35-24)21-14-16-28-17-15-21)18-22-19-33(23-10-6-3-7-11-23)30-26(22)20-8-4-2-5-9-20/h2-11,14-17,19H,12-13,18H2,1H3
InChIKeyKKMCEZDKEGBPDG-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.58
Rot. Bonds8

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 30135460) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID30135460
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C27H24N6O2/c1-32(25(34)13-12-24-29-27(31-35-24)21-14-16-28-17-15-21)18-22-19-33(23-10-6-3-7-11-23)30-26(22)20-8-4-2-5-9-20/h2-11,14-17,19H,12-13,18H2,1H3
InChIKeyKKMCEZDKEGBPDG-UHFFFAOYSA-N
XLogP4.58
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
N-methyl-N-[(2-methylphenyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30533862
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8962000
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26037018
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198217
2-[methyl-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 119358642
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 52669341
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31333794
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 8962276
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 30135460) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCc1nc(-c2ccncc2)no1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is KKMCEZDKEGBPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-32(25(34)13-12-24-29-27(31-35-24)21-14-16-28-17-15-21)18-22-19-33(23-10-6-3-7-11-23)30-26(22)20-8-4-2-5-9-20/h2-11,14-17,19H,12-13,18H2,1H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 464.53 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 30135460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).