2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine

C13H10Cl2F3N3 — CID 63353595

IUPAC2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-n2nc(C3CC3)c(CCl)c2Cl)nc1
InChIInChI=1S/C13H10Cl2F3N3/c14-5-9-11(7-1-2-7)20-21(12(9)15)10-4-3-8(6-19-10)13(16,17)18/h3-4,6-7H,1-2,5H2
InChIKeyGUYNXPFXTKIJRZ-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.56
Rot. Bonds3

About 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine

2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 63353595) has the molecular formula C13H10Cl2F3N3 and a molecular weight of 336.14 g/mol. Its IUPAC name is 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID63353595
Molecular FormulaC13H10Cl2F3N3
Molecular Weight336.14 g/mol
Exact Mass335.02
IUPAC Name2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-n2nc(C3CC3)c(CCl)c2Cl)nc1
InChIInChI=1S/C13H10Cl2F3N3/c14-5-9-11(7-1-2-7)20-21(12(9)15)10-4-3-8(6-19-10)13(16,17)18/h3-4,6-7H,1-2,5H2
InChIKeyGUYNXPFXTKIJRZ-UHFFFAOYSA-N
XLogP4.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66020937
3-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-amine
CID 83205345
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021881
2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66021139
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
[1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 65349562
8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane;hydrochloride
CID 67234325
5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
CID 22310061
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine (CID 63353595) is 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-n2nc(C3CC3)c(CCl)c2Cl)nc1.
What is the InChIKey of 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is GUYNXPFXTKIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3/c14-5-9-11(7-1-2-7)20-21(12(9)15)10-4-3-8(6-19-10)13(16,17)18/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine?
2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 336.14 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 63353595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).