(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone

C15H18N2O4 — CID 114964370

IUPAC(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCCn1cc(C(=O)c2ccc(OC)c(OC)c2OC)cn1
InChIInChI=1S/C15H18N2O4/c1-5-17-9-10(8-16-17)13(18)11-6-7-12(19-2)15(21-4)14(11)20-3/h6-9H,5H2,1-4H3
InChIKeyREAOIHKYRKCBQD-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.16
Rot. Bonds6

About (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone

(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 114964370) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID114964370
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCCn1cc(C(=O)c2ccc(OC)c(OC)c2OC)cn1
InChIInChI=1S/C15H18N2O4/c1-5-17-9-10(8-16-17)13(18)11-6-7-12(19-2)15(21-4)14(11)20-3/h6-9H,5H2,1-4H3
InChIKeyREAOIHKYRKCBQD-UHFFFAOYSA-N
XLogP2.16
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 107944306
1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
CID 114964476
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
(2-chloro-4-methylphenyl)-(1-ethylpyrazol-4-yl)methanone
CID 106864825
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-ethyl-N-propyl-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400096
thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
CID 43588954

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone (CID 114964370) is (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone is CCn1cc(C(=O)c2ccc(OC)c(OC)c2OC)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is REAOIHKYRKCBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-5-17-9-10(8-16-17)13(18)11-6-7-12(19-2)15(21-4)14(11)20-3/h6-9H,5H2,1-4H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone?
(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 290.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 114964370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).