(2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone

C11H9F3N2O2 — CID 831987

IUPAC(2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCc1occc1C(=O)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C11H9F3N2O2/c1-6-5-9(11(12,13)14)15-16(6)10(17)8-3-4-18-7(8)2/h3-5H,1-2H3
InChIKeyVWANLKKVVBQPJP-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.80
Rot. Bonds1

About (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone

(2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 831987) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID831987
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name(2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCc1occc1C(=O)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C11H9F3N2O2/c1-6-5-9(11(12,13)14)15-16(6)10(17)8-3-4-18-7(8)2/h3-5H,1-2H3
InChIKeyVWANLKKVVBQPJP-UHFFFAOYSA-N
XLogP2.80
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 6885163
Furan-3-carbohydrazide, 2-methyl-N2-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylene-
CID 9593094
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5412168
(3,5-Dimethylpyrazol-1-yl)-(2-methylfuran-3-yl)methanone
CID 695657
2,5-dimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}furan-3-carboxamide
CID 71808005
[2-(5-Methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 72143371
1-[3-(2-furyl)acryloyl]-3,5-dimethyl-1H-pyrazole
CID 5736944
1-methyl-N-[(2-methylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
CID 72113129
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 93243684
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 9934449
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide
CID 10134902
4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylfuran-3-carboxamide
CID 90393638

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone (CID 831987) is (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone is Cc1occc1C(=O)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is VWANLKKVVBQPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-6-5-9(11(12,13)14)15-16(6)10(17)8-3-4-18-7(8)2/h3-5H,1-2H3.
What are the key properties of (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
(2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 258.20 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 831987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).