(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone

C13H14N2O — CID 114963914

IUPAC(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCCc1ccccc1C(=O)c1cnn(C)c1
InChIInChI=1S/C13H14N2O/c1-3-10-6-4-5-7-12(10)13(16)11-8-14-15(2)9-11/h4-9H,3H2,1-2H3
InChIKeyAOOHRHCBEIFFMF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.21
Rot. Bonds3

About (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone

(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 114963914) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone
PubChem CID114963914
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCCc1ccccc1C(=O)c1cnn(C)c1
InChIInChI=1S/C13H14N2O/c1-3-10-6-4-5-7-12(10)13(16)11-8-14-15(2)9-11/h4-9H,3H2,1-2H3
InChIKeyAOOHRHCBEIFFMF-UHFFFAOYSA-N
XLogP2.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)phenyl]-(1-methylpyrazol-4-yl)methanone
CID 116577364
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 102811630
(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963984
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 65195914
1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methanone
CID 81153366
2,3-dihydro-1,4-benzodioxin-5-yl-(1-methylpyrazol-4-yl)methanone
CID 105082292
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
CID 105082299
(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
CID 102830803
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770
2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
(4-ethylsulfanylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 106847933

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone (CID 114963914) is (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone is CCc1ccccc1C(=O)c1cnn(C)c1.
What is the InChIKey of (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is AOOHRHCBEIFFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-10-6-4-5-7-12(10)13(16)11-8-14-15(2)9-11/h4-9H,3H2,1-2H3.
What are the key properties of (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone?
(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 214.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).