4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide

C22H25N3O2 — CID 118662917

IUPAC4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3c(C)n[nH]c3C)c(C)c2)c1
InChIInChI=1S/C22H25N3O2/c1-13-11-18(9-10-20(13)21-15(3)24-25-16(21)4)22(26)23-14(2)17-7-6-8-19(12-17)27-5/h6-12,14H,1-5H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyYZIKEARCAOIQTA-CQSZACIVSA-N
MW363.46 g/mol
LogP4.50
Rot. Bonds5

About 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide

4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide (PubChem CID 118662917) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide
PubChem CID118662917
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3c(C)n[nH]c3C)c(C)c2)c1
InChIInChI=1S/C22H25N3O2/c1-13-11-18(9-10-20(13)21-15(3)24-25-16(21)4)22(26)23-14(2)17-7-6-8-19(12-17)27-5/h6-12,14H,1-5H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyYZIKEARCAOIQTA-CQSZACIVSA-N
XLogP4.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-9H-indeno[2,1-c]pyridine-7-carboxamide
CID 159247547
N-[1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547315
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
(1R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376295
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 155518157
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide?
The IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide (CID 118662917) is 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide?
The canonical SMILES for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3c(C)n[nH]c3C)c(C)c2)c1.
What is the InChIKey of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide?
The InChIKey is YZIKEARCAOIQTA-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13-11-18(9-10-20(13)21-15(3)24-25-16(21)4)22(26)23-14(2)17-7-6-8-19(12-17)27-5/h6-12,14H,1-5H3,(H,23,26)(H,24,25)/t14-/m1/s1.
What are the key properties of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide?
4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 118662917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).