4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine

C19H25F3N4O — CID 146288089

IUPAC4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine
SMILESCCOc1cc(C(C)N2CCC(Cc3cc(C)nc(C(F)(F)F)c3)C2)[nH]n1
InChIInChI=1S/C19H25F3N4O/c1-4-27-18-10-16(24-25-18)13(3)26-6-5-14(11-26)8-15-7-12(2)23-17(9-15)19(20,21)22/h7,9-10,13-14H,4-6,8,11H2,1-3H3,(H,24,25)
InChIKeyVLDKJBBVGUHSBW-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.16
Rot. Bonds6

About 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine

4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine (PubChem CID 146288089) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine
PubChem CID146288089
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC Name4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine
SMILESCCOc1cc(C(C)N2CCC(Cc3cc(C)nc(C(F)(F)F)c3)C2)[nH]n1
InChIInChI=1S/C19H25F3N4O/c1-4-27-18-10-16(24-25-18)13(3)26-6-5-14(11-26)8-15-7-12(2)23-17(9-15)19(20,21)22/h7,9-10,13-14H,4-6,8,11H2,1-3H3,(H,24,25)
InChIKeyVLDKJBBVGUHSBW-UHFFFAOYSA-N
XLogP4.16
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S)-1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine;sulfane
CID 161445999
N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
CID 162468301
4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146288313
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146283801
4-[[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 163887763
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146283795
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464302
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]quinoxaline;sulfane
CID 161243207
4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287985
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 146284930
2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine
CID 146284962
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine (CID 146288089) is 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine is CCOc1cc(C(C)N2CCC(Cc3cc(C)nc(C(F)(F)F)c3)C2)[nH]n1.
What is the InChIKey of 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine?
The InChIKey is VLDKJBBVGUHSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O/c1-4-27-18-10-16(24-25-18)13(3)26-6-5-14(11-26)8-15-7-12(2)23-17(9-15)19(20,21)22/h7,9-10,13-14H,4-6,8,11H2,1-3H3,(H,24,25).
What are the key properties of 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine?
4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 382.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 146288089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).