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

C20H21N3O3 — CID 90354217

IUPAC3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)15-7-8-18(19(10-15)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/m1/s1
InChIKeyIHPZTIFVUUEGSN-CYBMUJFWSA-N
MW351.41 g/mol
LogP3.58
Rot. Bonds6

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

3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 90354217) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID90354217
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
InChIInChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)15-7-8-18(19(10-15)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/m1/s1
InChIKeyIHPZTIFVUUEGSN-CYBMUJFWSA-N
XLogP3.58
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 90354217) is 3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1.
What is the InChIKey of 3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is IHPZTIFVUUEGSN-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)15-7-8-18(19(10-15)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/m1/s1.
What are the key properties of 3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 90354217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).