2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide

C15H19FN4O — CID 22194251

IUPAC2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide
SMILESCCn1cc(CN(C)CC(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C15H19FN4O/c1-3-20-10-12(8-17-20)9-19(2)11-15(21)18-14-7-5-4-6-13(14)16/h4-8,10H,3,9,11H2,1-2H3,(H,18,21)
InChIKeyUHKVSEOBDSRROX-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.11
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide

2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide (PubChem CID 22194251) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide
PubChem CID22194251
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide
SMILESCCn1cc(CN(C)CC(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C15H19FN4O/c1-3-20-10-12(8-17-20)9-19(2)11-15(21)18-14-7-5-4-6-13(14)16/h4-8,10H,3,9,11H2,1-2H3,(H,18,21)
InChIKeyUHKVSEOBDSRROX-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438617
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 22194265
N-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196148
3-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987825
N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196125
N-(2-fluorophenyl)-2-[methyl(quinolin-6-ylmethyl)amino]acetamide
CID 134702606
methyl 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 22194238
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22194213
N-(2,3-dichlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196117
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide (CID 22194251) is 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide is CCn1cc(CN(C)CC(=O)Nc2ccccc2F)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide?
The InChIKey is UHKVSEOBDSRROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-20-10-12(8-17-20)9-19(2)11-15(21)18-14-7-5-4-6-13(14)16/h4-8,10H,3,9,11H2,1-2H3,(H,18,21).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide?
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide has a molecular weight of 290.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 22194251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).