4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine

C14H15F3N4 — CID 166275105

IUPAC4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine
SMILESCn1nc(C(F)(F)F)cc1-c1ccnc(N2CCCC2)c1
InChIInChI=1S/C14H15F3N4/c1-20-11(9-12(19-20)14(15,16)17)10-4-5-18-13(8-10)21-6-2-3-7-21/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyGLDVBMCEHOPNRL-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.10
Rot. Bonds2

About 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine

4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine (PubChem CID 166275105) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine
PubChem CID166275105
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine
SMILESCn1nc(C(F)(F)F)cc1-c1ccnc(N2CCCC2)c1
InChIInChI=1S/C14H15F3N4/c1-20-11(9-12(19-20)14(15,16)17)10-4-5-18-13(8-10)21-6-2-3-7-21/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyGLDVBMCEHOPNRL-UHFFFAOYSA-N
XLogP3.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine (CID 166275105) is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine is Cn1nc(C(F)(F)F)cc1-c1ccnc(N2CCCC2)c1.
What is the InChIKey of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine?
The InChIKey is GLDVBMCEHOPNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-20-11(9-12(19-20)14(15,16)17)10-4-5-18-13(8-10)21-6-2-3-7-21/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine?
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine has a molecular weight of 296.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 166275105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).