2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C14H17N3O — CID 103856094

IUPAC2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCc1cccc(CC(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O/c1-10-4-3-5-12(6-10)7-14(18)17-11(2)13-8-15-16-9-13/h3-6,8-9,11H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGUFQYMXTWIBJEB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.14
Rot. Bonds4

About 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856094) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856094
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCc1cccc(CC(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O/c1-10-4-3-5-12(6-10)7-14(18)17-11(2)13-8-15-16-9-13/h3-6,8-9,11H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGUFQYMXTWIBJEB-UHFFFAOYSA-N
XLogP2.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856029
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855882
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024
2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856392
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173
3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855945
2-[(4-methylphenyl)methylsulfanyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856144
2-benzylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856658
2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856634
(E)-3-(2,4-dimethylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103856185

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856094) is 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is Cc1cccc(CC(=O)NC(C)c2cn[nH]c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is GUFQYMXTWIBJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-3-5-12(6-10)7-14(18)17-11(2)13-8-15-16-9-13/h3-6,8-9,11H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).