N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide

C20H22N4O — CID 25280345

IUPACN-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
SMILESCc1ccccc1-n1ncc([C@H](C)NC(=O)Cc2cccnc2)c1C
InChIInChI=1S/C20H22N4O/c1-14-7-4-5-9-19(14)24-16(3)18(13-22-24)15(2)23-20(25)11-17-8-6-10-21-12-17/h4-10,12-13,15H,11H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyAYONEURZRHNRLY-HNNXBMFYSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds5

About N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide

N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide (PubChem CID 25280345) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
PubChem CID25280345
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide
SMILESCc1ccccc1-n1ncc([C@H](C)NC(=O)Cc2cccnc2)c1C
InChIInChI=1S/C20H22N4O/c1-14-7-4-5-9-19(14)24-16(3)18(13-22-24)15(2)23-20(25)11-17-8-6-10-21-12-17/h4-10,12-13,15H,11H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyAYONEURZRHNRLY-HNNXBMFYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
CID 26332266
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CID 42525671
2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97149895
2-(benzimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97140542
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97128887
N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45176025
2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 72852508
ethyl 2-[[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]carbamoylamino]acetate
CID 42194625
1-(2-fluorophenyl)-3-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 42558008
1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 42591847
1-ethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 45191349
2-amino-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide (CID 25280345) is N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide is Cc1ccccc1-n1ncc([C@H](C)NC(=O)Cc2cccnc2)c1C.
What is the InChIKey of N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide?
The InChIKey is AYONEURZRHNRLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-7-4-5-9-19(14)24-16(3)18(13-22-24)15(2)23-20(25)11-17-8-6-10-21-12-17/h4-10,12-13,15H,11H2,1-3H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide?
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 334.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 25280345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).