(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone

C14H15FN2O — CID 81274285

IUPAC(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(F)cc2C)cn1
InChIInChI=1S/C14H15FN2O/c1-3-6-17-9-11(8-16-17)14(18)13-5-4-12(15)7-10(13)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyCANNEBZXQJFSNR-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.97
Rot. Bonds4

About (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone

(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone (PubChem CID 81274285) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
PubChem CID81274285
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(F)cc2C)cn1
InChIInChI=1S/C14H15FN2O/c1-3-6-17-9-11(8-16-17)14(18)13-5-4-12(15)7-10(13)2/h4-5,7-9H,3,6H2,1-2H3
InChIKeyCANNEBZXQJFSNR-UHFFFAOYSA-N
XLogP2.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963861
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
(2-bromo-4-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963862
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 62717590
(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
(2-bromo-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanone
CID 114885302
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
methyl 4-fluoro-2-[(1-propylpyrazol-4-yl)methylamino]benzoate
CID 103571443

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone (CID 81274285) is (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)c2ccc(F)cc2C)cn1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone?
The InChIKey is CANNEBZXQJFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-6-17-9-11(8-16-17)14(18)13-5-4-12(15)7-10(13)2/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone?
(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone has a molecular weight of 246.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 81274285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).