4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one

C7H11FN2O — CID 84650756

IUPAC4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one
SMILESCc1c(CCF)c(=O)[nH]n1C
InChIInChI=1S/C7H11FN2O/c1-5-6(3-4-8)7(11)9-10(5)2/h3-4H2,1-2H3,(H,9,11)
InChIKeyJUUMKWYGCDQBRE-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.53
Rot. Bonds2

About 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one

4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one (PubChem CID 84650756) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one
PubChem CID84650756
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one
SMILESCc1c(CCF)c(=O)[nH]n1C
InChIInChI=1S/C7H11FN2O/c1-5-6(3-4-8)7(11)9-10(5)2/h3-4H2,1-2H3,(H,9,11)
InChIKeyJUUMKWYGCDQBRE-UHFFFAOYSA-N
XLogP0.53
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-1-methyl-3-propyl-1H-pyrazol-5-ol
CID 12859032
3-(difluoromethyl)-2,4-dimethyl-1H-pyrazol-5-one
CID 19824399
4-Ethyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 23211917
4-tert-butyl-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 57709339
4-ethyl-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 68381441
2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 83398851
2,4-diethyl-3-fluoro-1H-pyrazol-5-one
CID 89056895
4-ethyl-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one
CID 91185183
2,3-dimethyl-4-propyl-1H-pyrazol-5-one
CID 139597195
5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one
CID 167067592
5-ethyl-4-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one
CID 174406427
4-Propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 83398736

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one (CID 84650756) is 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one is Cc1c(CCF)c(=O)[nH]n1C.
What is the InChIKey of 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one?
The InChIKey is JUUMKWYGCDQBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-5-6(3-4-8)7(11)9-10(5)2/h3-4H2,1-2H3,(H,9,11).
What are the key properties of 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one?
4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one has a molecular weight of 158.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-2,3-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 84650756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).