(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone

C14H14F2N2O — CID 114963861

IUPAC(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2cc(C)c(F)cc2F)cn1
InChIInChI=1S/C14H14F2N2O/c1-3-4-18-8-10(7-17-18)14(19)11-5-9(2)12(15)6-13(11)16/h5-8H,3-4H2,1-2H3
InChIKeyRBKZEESFOCUFHG-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.11
Rot. Bonds4

About (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone

(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone (PubChem CID 114963861) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
PubChem CID114963861
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2cc(C)c(F)cc2F)cn1
InChIInChI=1S/C14H14F2N2O/c1-3-4-18-8-10(7-17-18)14(19)11-5-9(2)12(15)6-13(11)16/h5-8H,3-4H2,1-2H3
InChIKeyRBKZEESFOCUFHG-UHFFFAOYSA-N
XLogP3.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 81274285
(2-bromo-4-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963862
(2-bromo-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanone
CID 114885302
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 62717590
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963905
2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone
CID 114963907
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone (CID 114963861) is (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)c2cc(C)c(F)cc2F)cn1.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone?
The InChIKey is RBKZEESFOCUFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-3-4-18-8-10(7-17-18)14(19)11-5-9(2)12(15)6-13(11)16/h5-8H,3-4H2,1-2H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone?
(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone has a molecular weight of 264.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).