N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide

C13H13N3O3 — CID 110478313

IUPACN-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide
SMILESCOc1ccc(-c2cc(NC(=O)C(C)=O)n[nH]2)cc1
InChIInChI=1S/C13H13N3O3/c1-8(17)13(18)14-12-7-11(15-16-12)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H2,14,15,16,18)
InChIKeyBPSXZPZSRRIGOG-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.61
Rot. Bonds4

About N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide

N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide (PubChem CID 110478313) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide
PubChem CID110478313
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide
SMILESCOc1ccc(-c2cc(NC(=O)C(C)=O)n[nH]2)cc1
InChIInChI=1S/C13H13N3O3/c1-8(17)13(18)14-12-7-11(15-16-12)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H2,14,15,16,18)
InChIKeyBPSXZPZSRRIGOG-UHFFFAOYSA-N
XLogP1.61
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea
CID 17112503
N-[N'-tert-butyl-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-methoxybenzamide
CID 123394597
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-pyrrolidin-2-yl-1H-pyrazole-3-carboxamide
CID 167788200
2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine
CID 67386782
benzyl 2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 68524620
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 110281072
1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
CID 935371
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide (CID 110478313) is N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide is COc1ccc(-c2cc(NC(=O)C(C)=O)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide?
The InChIKey is BPSXZPZSRRIGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8(17)13(18)14-12-7-11(15-16-12)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H2,14,15,16,18).
What are the key properties of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide?
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide has a molecular weight of 259.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide is sourced from PubChem (CID 110478313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).