4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide

C22H25N3O3 — CID 30236494

IUPAC4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C22H25N3O3/c1-2-16-28-20-11-7-6-10-19(20)23-21(26)12-13-22(27)25-15-14-18(24-25)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,26)
InChIKeyUZCZYFBKVYZWAV-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.83
Rot. Bonds8

About 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide

4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide (PubChem CID 30236494) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide
PubChem CID30236494
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C22H25N3O3/c1-2-16-28-20-11-7-6-10-19(20)23-21(26)12-13-22(27)25-15-14-18(24-25)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,26)
InChIKeyUZCZYFBKVYZWAV-UHFFFAOYSA-N
XLogP3.83
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]phenyl]acetamide
CID 51075010
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55635136
N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 25481606
N-butyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51161883
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 55991293
N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 56530291
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648
N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55376217
1-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-phenylthiourea
CID 24644050
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide
CID 55572353

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide?
The IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide (CID 30236494) is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide.
What is the SMILES notation for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide?
The canonical SMILES for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide is CCCOc1ccccc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide?
The InChIKey is UZCZYFBKVYZWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-16-28-20-11-7-6-10-19(20)23-21(26)12-13-22(27)25-15-14-18(24-25)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,26).
What are the key properties of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide?
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide has a molecular weight of 379.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide is sourced from PubChem (CID 30236494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).