5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine

C10H9F3N4O — CID 114281023

IUPAC5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine
SMILESCc1cc(N)nn1-c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C10H9F3N4O/c1-6-4-8(14)16-17(6)9-3-2-7(5-15-9)18-10(11,12)13/h2-5H,1H3,(H2,14,16)
InChIKeyWPLIKOKSVZHMPQ-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.06
Rot. Bonds2

About 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine

5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine (PubChem CID 114281023) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine
PubChem CID114281023
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine
SMILESCc1cc(N)nn1-c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C10H9F3N4O/c1-6-4-8(14)16-17(6)9-3-2-7(5-15-9)18-10(11,12)13/h2-5H,1H3,(H2,14,16)
InChIKeyWPLIKOKSVZHMPQ-UHFFFAOYSA-N
XLogP2.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
6-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-3-amine
CID 114281005
1-(1,5-dimethylpyrazol-3-yl)-5-methylpyrazol-3-amine
CID 130497130
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
5-(trifluoromethoxy)pyrimidin-2-amine
CID 138532683
(3aS,6aS)-5-[5-(trifluoromethoxy)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169122874
CID 176921345
CID 176921345
butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55703799
3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 142362632
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133493218
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine
CID 133362551
1-(2-ethoxy-3-fluoro-4-pyridinyl)-5-methylpyrazol-3-amine
CID 114270448

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine (CID 114281023) is 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine is Cc1cc(N)nn1-c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine?
The InChIKey is WPLIKOKSVZHMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-6-4-8(14)16-17(6)9-3-2-7(5-15-9)18-10(11,12)13/h2-5H,1H3,(H2,14,16).
What are the key properties of 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine?
5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine has a molecular weight of 258.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine is sourced from PubChem (CID 114281023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).