(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone

C11H7F3N2O — CID 114972600

IUPAC(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCn1nccc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H7F3N2O/c1-16-8(4-5-15-16)11(17)6-2-3-7(12)10(14)9(6)13/h2-5H,1H3
InChIKeyKOWQFCPAJZQXTA-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.07
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone

(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 114972600) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID114972600
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCn1nccc1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H7F3N2O/c1-16-8(4-5-15-16)11(17)6-2-3-7(12)10(14)9(6)13/h2-5H,1H3
InChIKeyKOWQFCPAJZQXTA-UHFFFAOYSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone (CID 114972600) is (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone is Cn1nccc1C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is KOWQFCPAJZQXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c1-16-8(4-5-15-16)11(17)6-2-3-7(12)10(14)9(6)13/h2-5H,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone?
(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 240.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 114972600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).