1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine

C13H15F2N3 — CID 118520433

IUPAC1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine
SMILESC=C1C=CC(n2ccc(C(C)C)n2)=CN1C(F)F
InChIInChI=1S/C13H15F2N3/c1-9(2)12-6-7-18(16-12)11-5-4-10(3)17(8-11)13(14)15/h4-9,13H,3H2,1-2H3
InChIKeyYNWUZGZSDAGXHI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.41
Rot. Bonds3

About 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine

1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine (PubChem CID 118520433) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine
PubChem CID118520433
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine
SMILESC=C1C=CC(n2ccc(C(C)C)n2)=CN1C(F)F
InChIInChI=1S/C13H15F2N3/c1-9(2)12-6-7-18(16-12)11-5-4-10(3)17(8-11)13(14)15/h4-9,13H,3H2,1-2H3
InChIKeyYNWUZGZSDAGXHI-UHFFFAOYSA-N
XLogP3.41
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-1-methyl-1H-pyrazole
CID 12581083
1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
1-Methyl-3-t-butylpyrazole
CID 145633
3-cyclopropyl-1-methyl-1H-pyrazole
CID 23300060
3-cyclopropyl-1-ethyl-1H-pyrazole
CID 25247549
5-cyclopropyl-1-methyl-1H-pyrazole
CID 25247754
4-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414451
1-Methyl-5-t-butylpyrazole
CID 145634
5-(1,1-difluoroethyl)-1-methyl-1H-pyrazole
CID 89891309
2-(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-yl)acetonitrile
CID 50896831
1-Tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole
CID 14175133
1-Tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 14175134

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine?
The IUPAC name of 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine (CID 118520433) is 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine.
What is the SMILES notation for 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine?
The canonical SMILES for 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine is C=C1C=CC(n2ccc(C(C)C)n2)=CN1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine?
The InChIKey is YNWUZGZSDAGXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-9(2)12-6-7-18(16-12)11-5-4-10(3)17(8-11)13(14)15/h4-9,13H,3H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine?
1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine has a molecular weight of 251.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-methylidene-5-(3-propan-2-ylpyrazol-1-yl)pyridine is sourced from PubChem (CID 118520433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).