4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide

C21H20N4O3 — CID 123934488

IUPAC4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(-c3cn[nH]c3C#N)cc2OC)c1
InChIInChI=1S/C21H20N4O3/c1-13(14-5-4-6-16(9-14)27-2)24-21(26)17-8-7-15(10-20(17)28-3)18-12-23-25-19(18)11-22/h4-10,12-13H,1-3H3,(H,23,25)(H,24,26)
InChIKeyUTPDQPQSXIPZQG-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.46
Rot. Bonds6

About 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide

4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 123934488) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID123934488
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(-c3cn[nH]c3C#N)cc2OC)c1
InChIInChI=1S/C21H20N4O3/c1-13(14-5-4-6-16(9-14)27-2)24-21(26)17-8-7-15(10-20(17)28-3)18-12-23-25-19(18)11-22/h4-10,12-13H,1-3H3,(H,23,25)(H,24,26)
InChIKeyUTPDQPQSXIPZQG-UHFFFAOYSA-N
XLogP3.46
TPSA100.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 123193539
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 74430495
[3-methoxy-4-[1-(3-methoxyphenyl)ethylcarbamoyl]phenyl]boronic acid
CID 123598238
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide (CID 123934488) is 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(C)NC(=O)c2ccc(-c3cn[nH]c3C#N)cc2OC)c1.
What is the InChIKey of 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is UTPDQPQSXIPZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13(14-5-4-6-16(9-14)27-2)24-21(26)17-8-7-15(10-20(17)28-3)18-12-23-25-19(18)11-22/h4-10,12-13H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide?
4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 123934488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).