(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone

C13H13FN2O2 — CID 114964376

IUPAC(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCn1cc(C(=O)c2ccc(OC)c(F)c2)cn1
InChIInChI=1S/C13H13FN2O2/c1-3-16-8-10(7-15-16)13(17)9-4-5-12(18-2)11(14)6-9/h4-8H,3H2,1-2H3
InChIKeyHSVKGHGYKTZQDI-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.28
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone

(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 114964376) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID114964376
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCn1cc(C(=O)c2ccc(OC)c(F)c2)cn1
InChIInChI=1S/C13H13FN2O2/c1-3-16-8-10(7-15-16)13(17)9-4-5-12(18-2)11(14)6-9/h4-8H,3H2,1-2H3
InChIKeyHSVKGHGYKTZQDI-UHFFFAOYSA-N
XLogP2.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114964489
(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 114964370
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 45169937
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 102802743
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63492657
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone (CID 114964376) is (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone is CCn1cc(C(=O)c2ccc(OC)c(F)c2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is HSVKGHGYKTZQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-3-16-8-10(7-15-16)13(17)9-4-5-12(18-2)11(14)6-9/h4-8H,3H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone?
(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 248.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 114964376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).