4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one

C8H9F3N2O — CID 91411183

IUPAC4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C(F)(F)F)c(=O)c1C1CC1
InChIInChI=1S/C8H9F3N2O/c1-4-6(5-2-3-5)7(14)13(12-4)8(9,10)11/h5,12H,2-3H2,1H3
InChIKeyYCWJVUIQAMHVFQ-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.84
Rot. Bonds1

About 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one

4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 91411183) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID91411183
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C(F)(F)F)c(=O)c1C1CC1
InChIInChI=1S/C8H9F3N2O/c1-4-6(5-2-3-5)7(14)13(12-4)8(9,10)11/h5,12H,2-3H2,1H3
InChIKeyYCWJVUIQAMHVFQ-UHFFFAOYSA-N
XLogP1.84
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methylpropyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 83398737
2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 83398851
4-ethyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one
CID 91185183
2-methyl-4-(2-methylprop-2-enyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 10421000
4-Propyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 142823030
2-methyl-4-propyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 162568368
4-cyclopropyl-1,3-dimethyl-1H-pyrazol-5-ol
CID 91249257
2-methyl-3-(2-methylpropyl)-4-propyl-1H-pyrazol-5-one
CID 156397331
2-tert-butyl-3-(2-methylpropyl)-4-propyl-1H-pyrazol-5-one
CID 156397833
2-methyl-5-(2-methylpropyl)-4-propyl-1H-pyrazol-3-one
CID 156399754
2-tert-butyl-5-(2-methylpropyl)-4-propyl-1H-pyrazol-3-one
CID 156399923

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one (CID 91411183) is 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one is Cc1[nH]n(C(F)(F)F)c(=O)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is YCWJVUIQAMHVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-6(5-2-3-5)7(14)13(12-4)8(9,10)11/h5,12H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one?
4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 206.17 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 91411183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).