(2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone

C10H6F2N2O — CID 114989396

IUPAC(2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)c1ccc(F)cc1F
InChIInChI=1S/C10H6F2N2O/c11-7-1-2-8(9(12)3-7)10(15)6-4-13-14-5-6/h1-5H,(H,13,14)
InChIKeyBSENMZUWZZMWTR-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.92
Rot. Bonds2

About (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone

(2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone (PubChem CID 114989396) has the molecular formula C10H6F2N2O and a molecular weight of 208.17 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone
PubChem CID114989396
Molecular FormulaC10H6F2N2O
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name(2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)c1ccc(F)cc1F
InChIInChI=1S/C10H6F2N2O/c11-7-1-2-8(9(12)3-7)10(15)6-4-13-14-5-6/h1-5H,(H,13,14)
InChIKeyBSENMZUWZZMWTR-UHFFFAOYSA-N
XLogP1.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone
CID 114990495
(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628405
(2,4-difluorophenyl)-(4-phenoxyphenyl)methanone
CID 146007872
(2,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005353
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(5-tert-butyl-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone
CID 57371109
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(4-bromophenyl)-(1H-pyrazol-4-yl)methanone
CID 69200129
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone (CID 114989396) is (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is BSENMZUWZZMWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O/c11-7-1-2-8(9(12)3-7)10(15)6-4-13-14-5-6/h1-5H,(H,13,14).
What are the key properties of (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone?
(2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 208.17 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 114989396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).