N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide

C20H21N3O2 — CID 118662999

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
InChIInChI=1S/C20H21N3O2/c1-13-9-16(7-8-19(13)17-11-21-22-12-17)20(24)23-14(2)15-5-4-6-18(10-15)25-3/h4-12,14H,1-3H3,(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeySEPHKODFYBTYDV-CQSZACIVSA-N
MW335.41 g/mol
LogP3.88
Rot. Bonds5

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662999) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662999
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
InChIInChI=1S/C20H21N3O2/c1-13-9-16(7-8-19(13)17-11-21-22-12-17)20(24)23-14(2)15-5-4-6-18(10-15)25-3/h4-12,14H,1-3H3,(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeySEPHKODFYBTYDV-CQSZACIVSA-N
XLogP3.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide (CID 118662999) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is SEPHKODFYBTYDV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-9-16(7-8-19(13)17-11-21-22-12-17)20(24)23-14(2)15-5-4-6-18(10-15)25-3/h4-12,14H,1-3H3,(H,21,22)(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).