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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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).