(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone

C13H13FN2O2 — CID 102802743

IUPAC(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn(C)nc2C)cc1F
InChIInChI=1S/C13H13FN2O2/c1-8-10(7-16(2)15-8)13(17)9-4-5-12(18-3)11(14)6-9/h4-7H,1-3H3
InChIKeyDZRGBSIHNPLNGZ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.11
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone

(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 102802743) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID102802743
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cn(C)nc2C)cc1F
InChIInChI=1S/C13H13FN2O2/c1-8-10(7-16(2)15-8)13(17)9-4-5-12(18-3)11(14)6-9/h4-7H,1-3H3
InChIKeyDZRGBSIHNPLNGZ-UHFFFAOYSA-N
XLogP2.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115604695
(3-fluoro-4-methoxyphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790442
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802657
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 57433379
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone (CID 102802743) is (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cn(C)nc2C)cc1F.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is DZRGBSIHNPLNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-10(7-16(2)15-8)13(17)9-4-5-12(18-3)11(14)6-9/h4-7H,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone?
(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 248.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102802743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).