N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide

C12H13N3O2 — CID 60756455

IUPACN-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C12H13N3O2/c1-2-11(16)13-9-5-3-8(4-6-9)10-7-12(17)15-14-10/h3-7H,2H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyIQOPVSYOYDQRQL-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.72
Rot. Bonds3

About N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide

N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide (PubChem CID 60756455) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
PubChem CID60756455
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C12H13N3O2/c1-2-11(16)13-9-5-3-8(4-6-9)10-7-12(17)15-14-10/h3-7H,2H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyIQOPVSYOYDQRQL-UHFFFAOYSA-N
XLogP1.72
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 79201501
4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 43706888
5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
CID 82013599
5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide
CID 82850765
3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 115426240
4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 80543463
5-[4-(pentan-2-ylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 43708968
3-bromo-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]thiophene-2-carboxamide
CID 60967049
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide
CID 166389492
N-(4-pyrimidin-2-ylphenyl)propanamide
CID 137348877
N-[4-(1H-indol-5-yl)phenyl]propanamide
CID 123570730

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide?
The IUPAC name of N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide (CID 60756455) is N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide?
The InChIKey is IQOPVSYOYDQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-11(16)13-9-5-3-8(4-6-9)10-7-12(17)15-14-10/h3-7H,2H2,1H3,(H,13,16)(H2,14,15,17).
What are the key properties of N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide?
N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide has a molecular weight of 231.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 60756455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).