4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide

C15H19N3O4 — CID 84555446

IUPAC4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
SMILESCOc1ccc(C(O)CCC(=O)Nc2ccn[nH]2)c(OC)c1
InChIInChI=1S/C15H19N3O4/c1-21-10-3-4-11(13(9-10)22-2)12(19)5-6-15(20)17-14-7-8-16-18-14/h3-4,7-9,12,19H,5-6H2,1-2H3,(H2,16,17,18,20)
InChIKeyDQVUAWZFZXJXAY-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.88
Rot. Bonds7

About 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide

4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide (PubChem CID 84555446) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
PubChem CID84555446
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
SMILESCOc1ccc(C(O)CCC(=O)Nc2ccn[nH]2)c(OC)c1
InChIInChI=1S/C15H19N3O4/c1-21-10-3-4-11(13(9-10)22-2)12(19)5-6-15(20)17-14-7-8-16-18-14/h3-4,7-9,12,19H,5-6H2,1-2H3,(H2,16,17,18,20)
InChIKeyDQVUAWZFZXJXAY-UHFFFAOYSA-N
XLogP1.88
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide
CID 84555209
N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
CID 84555427
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
CID 84555197
2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393926
N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 112511023
2-[[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 84556321
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide
CID 84556248
2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393750
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
CID 84556329
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 84555255
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide (CID 84555446) is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide is COc1ccc(C(O)CCC(=O)Nc2ccn[nH]2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide?
The InChIKey is DQVUAWZFZXJXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-21-10-3-4-11(13(9-10)22-2)12(19)5-6-15(20)17-14-7-8-16-18-14/h3-4,7-9,12,19H,5-6H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide?
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide has a molecular weight of 305.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide is sourced from PubChem (CID 84555446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).