N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide

C20H21N3O2 — CID 90354057

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2C)c1
InChIInChI=1S/C20H21N3O2/c1-13-9-16(17-11-21-22-12-17)7-8-19(13)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
InChIKeyJEMDNEOTFNNPST-CQSZACIVSA-N
MW335.41 g/mol
LogP3.88
Rot. Bonds5

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 90354057) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide
PubChem CID90354057
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2C)c1
InChIInChI=1S/C20H21N3O2/c1-13-9-16(17-11-21-22-12-17)7-8-19(13)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
InChIKeyJEMDNEOTFNNPST-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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Related Compounds

6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 16758227
Melk-T1(jnj-47117096)
CID 73442760
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85469696
3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90354217
N-[(1S)-2-amino-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90385099
3-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118662989
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 118662999
2-fluoro-3-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663021
3-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 162670833
3-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 68622384
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 76070677
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85470447

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide (CID 90354057) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cc2C)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is JEMDNEOTFNNPST-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-9-16(17-11-21-22-12-17)7-8-19(13)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]-2-methyl-4-(1H-pyrazol-4-yl)benzamide?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-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]-2-methyl-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 90354057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).