6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine

C13H15F3N4O — CID 102720061

IUPAC6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C13H15F3N4O/c1-3-4-17-10-6-9(13(14,15)16)7-11(18-10)21-12-5-8(2)19-20-12/h5-7H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPPOHBVDUXZCBKR-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.75
Rot. Bonds5

About 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine

6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720061) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720061
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(Oc2cc(C)[nH]n2)n1
InChIInChI=1S/C13H15F3N4O/c1-3-4-17-10-6-9(13(14,15)16)7-11(18-10)21-12-5-8(2)19-20-12/h5-7H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPPOHBVDUXZCBKR-UHFFFAOYSA-N
XLogP3.75
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-6-(4-trifluoromethylpyrazol-1-yl)pyridine
CID 17980396
3-isocyano-6-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(2-phenoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 57972688
5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine
CID 59356388
3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)pyridine
CID 70880678
4-Methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 88184549
N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-N'-(1-phenylethyl)ethanimidamide
CID 123409070
1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123824778
1-[2-(3,3-difluoroazetidin-1-yl)-6-(2,2-difluoroethoxy)-4-pyridinyl]-3-[[5-methyl-6-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377762
1-N'-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]ethene-1,1-diamine
CID 144599213
1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine
CID 144599415
N'-methyl-5-(methylideneamino)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1H-pyrazole-4-carboximidamide
CID 163953278
methyl N-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]butyl]carbamate
CID 167230965

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720061) is 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(Oc2cc(C)[nH]n2)n1.
What is the InChIKey of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PPOHBVDUXZCBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-3-4-17-10-6-9(13(14,15)16)7-11(18-10)21-12-5-8(2)19-20-12/h5-7H,3-4H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.28 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).