2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

C12H11ClF3N3 — CID 66021139

IUPAC2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCCc1cc(Cl)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H11ClF3N3/c1-2-3-9-6-10(13)19(18-9)11-5-4-8(7-17-11)12(14,15)16/h4-7H,2-3H2,1H3
InChIKeyDAOUNBVVAAABOW-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.89
Rot. Bonds3

About 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 66021139) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID66021139
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCCc1cc(Cl)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H11ClF3N3/c1-2-3-9-6-10(13)19(18-9)11-5-4-8(7-17-11)12(14,15)16/h4-7H,2-3H2,1H3
InChIKeyDAOUNBVVAAABOW-UHFFFAOYSA-N
XLogP3.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine
CID 66022243
2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66020937
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
5-chloro-1-(2-methylphenyl)-3-propylpyrazole
CID 66022394
3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381323
3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381325
3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
CID 107430932
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine
CID 63353595
2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 134947582
2-ethyl-4-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]aniline
CID 155580523
2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid
CID 62409710

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (CID 66021139) is 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is CCCc1cc(Cl)n(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is DAOUNBVVAAABOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-2-3-9-6-10(13)19(18-9)11-5-4-8(7-17-11)12(14,15)16/h4-7H,2-3H2,1H3.
What are the key properties of 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 289.69 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 66021139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).