2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C22H26N4O2 — CID 97337471

IUPAC2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCOc1ccccc1[C@@H](C)NCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H26N4O2/c1-15-9-11-18(12-10-15)26-21(13-16(2)25-26)24-22(27)14-23-17(3)19-7-5-6-8-20(19)28-4/h5-13,17,23H,14H2,1-4H3,(H,24,27)/t17-/m1/s1
InChIKeyPNQBDKDLDDMPPQ-QGZVFWFLSA-N
MW378.48 g/mol
LogP3.79
Rot. Bonds7

About 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 97337471) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID97337471
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCOc1ccccc1[C@@H](C)NCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1
InChIInChI=1S/C22H26N4O2/c1-15-9-11-18(12-10-15)26-21(13-16(2)25-26)24-22(27)14-23-17(3)19-7-5-6-8-20(19)28-4/h5-13,17,23H,14H2,1-4H3,(H,24,27)/t17-/m1/s1
InChIKeyPNQBDKDLDDMPPQ-QGZVFWFLSA-N
XLogP3.79
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 8688317
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 112806614
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800974
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46583198
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 55925781
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 2334617
3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112805936
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 9487657
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 97337471) is 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is COc1ccccc1[C@@H](C)NCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1.
What is the InChIKey of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is PNQBDKDLDDMPPQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-9-11-18(12-10-15)26-21(13-16(2)25-26)24-22(27)14-23-17(3)19-7-5-6-8-20(19)28-4/h5-13,17,23H,14H2,1-4H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 97337471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).