5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

C21H21N3O3 — CID 149337308

IUPAC5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(=O)c1ccc(Cc2[nH]nc(CCc3ccc(O)cc3)c2C(N)=O)cc1
InChIInChI=1S/C21H21N3O3/c1-13(25)16-7-2-15(3-8-16)12-19-20(21(22)27)18(23-24-19)11-6-14-4-9-17(26)10-5-14/h2-5,7-10,26H,6,11-12H2,1H3,(H2,22,27)(H,23,24)
InChIKeyYDMNRZYXNNABEV-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.79
Rot. Bonds7

About 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 149337308) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID149337308
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(=O)c1ccc(Cc2[nH]nc(CCc3ccc(O)cc3)c2C(N)=O)cc1
InChIInChI=1S/C21H21N3O3/c1-13(25)16-7-2-15(3-8-16)12-19-20(21(22)27)18(23-24-19)11-6-14-4-9-17(26)10-5-14/h2-5,7-10,26H,6,11-12H2,1H3,(H2,22,27)(H,23,24)
InChIKeyYDMNRZYXNNABEV-UHFFFAOYSA-N
XLogP2.79
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 158341999
5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 157414994
3-[2-(4-hydroxyphenyl)ethyl]-5-(1H-indazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 153235048
5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 159243762
5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 157308119
5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 160822484
5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide
CID 158216481
3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 159619556
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 149337308) is 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is CC(=O)c1ccc(Cc2[nH]nc(CCc3ccc(O)cc3)c2C(N)=O)cc1.
What is the InChIKey of 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is YDMNRZYXNNABEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13(25)16-7-2-15(3-8-16)12-19-20(21(22)27)18(23-24-19)11-6-14-4-9-17(26)10-5-14/h2-5,7-10,26H,6,11-12H2,1H3,(H2,22,27)(H,23,24).
What are the key properties of 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 149337308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).