N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide

C14H16FN3O2 — CID 115610032

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2n[nH]c(C)c2C)cc1F
InChIInChI=1S/C14H16FN3O2/c1-8-9(2)17-18-14(8)16-13(19)7-10-4-5-12(20-3)11(15)6-10/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyUIOZCKJLQXJQEF-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.36
Rot. Bonds4

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 115610032) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID115610032
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2n[nH]c(C)c2C)cc1F
InChIInChI=1S/C14H16FN3O2/c1-8-9(2)17-18-14(8)16-13(19)7-10-4-5-12(20-3)11(15)6-10/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyUIOZCKJLQXJQEF-UHFFFAOYSA-N
XLogP2.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 112687368
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526690
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594885
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 115594830
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide
CID 29209063
2-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393255
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43402634
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 39166458
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 115610032) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2n[nH]c(C)c2C)cc1F.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is UIOZCKJLQXJQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-9(2)17-18-14(8)16-13(19)7-10-4-5-12(20-3)11(15)6-10/h4-6H,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 115610032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).