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

C21H23N3O2 — CID 162670833

IUPAC3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCCc1cc(C(=O)N[C@H](C)c2cccc(OC)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H23N3O2/c1-4-15-10-17(8-9-20(15)18-12-22-23-13-18)21(25)24-14(2)16-6-5-7-19(11-16)26-3/h5-14H,4H2,1-3H3,(H,22,23)(H,24,25)/t14-/m1/s1
InChIKeyJUCBZNHHQKCEMY-CQSZACIVSA-N
MW349.43 g/mol
LogP4.14
Rot. Bonds6

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

3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 162670833) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID162670833
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCCc1cc(C(=O)N[C@H](C)c2cccc(OC)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H23N3O2/c1-4-15-10-17(8-9-20(15)18-12-22-23-13-18)21(25)24-14(2)16-6-5-7-19(11-16)26-3/h5-14H,4H2,1-3H3,(H,22,23)(H,24,25)/t14-/m1/s1
InChIKeyJUCBZNHHQKCEMY-CQSZACIVSA-N
XLogP4.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 162670833) is 3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is CCc1cc(C(=O)N[C@H](C)c2cccc(OC)c2)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is JUCBZNHHQKCEMY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-15-10-17(8-9-20(15)18-12-22-23-13-18)21(25)24-14(2)16-6-5-7-19(11-16)26-3/h5-14H,4H2,1-3H3,(H,22,23)(H,24,25)/t14-/m1/s1.
What are the key properties of 3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 162670833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).