1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine

C15H10F4N4O — CID 135171328

IUPAC1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESNc1c(-c2ccc(OC(F)(F)F)cc2)cnn1-c1ncccc1F
InChIInChI=1S/C15H10F4N4O/c16-12-2-1-7-21-14(12)23-13(20)11(8-22-23)9-3-5-10(6-4-9)24-15(17,18)19/h1-8H,20H2
InChIKeyVCTXECVCQQOWFN-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.55
Rot. Bonds3

About 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine

1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (PubChem CID 135171328) has the molecular formula C15H10F4N4O and a molecular weight of 338.26 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
PubChem CID135171328
Molecular FormulaC15H10F4N4O
Molecular Weight338.26 g/mol
Exact Mass338.08
IUPAC Name1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESNc1c(-c2ccc(OC(F)(F)F)cc2)cnn1-c1ncccc1F
InChIInChI=1S/C15H10F4N4O/c16-12-2-1-7-21-14(12)23-13(20)11(8-22-23)9-3-5-10(6-4-9)24-15(17,18)19/h1-8H,20H2
InChIKeyVCTXECVCQQOWFN-UHFFFAOYSA-N
XLogP3.55
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
(S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 71165379
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
3-fluoro-2-[4-(trifluoromethoxy)phenyl]aniline
CID 119014295
5-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]triazol-4-amine
CID 15998416
6-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086741
[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 133086821
3-[2-fluoro-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethoxy)phenyl]triazol-4-amine
CID 25215908
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
CID 118819959
2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 151930953

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (CID 135171328) is 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is Nc1c(-c2ccc(OC(F)(F)F)cc2)cnn1-c1ncccc1F.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The InChIKey is VCTXECVCQQOWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O/c16-12-2-1-7-21-14(12)23-13(20)11(8-22-23)9-3-5-10(6-4-9)24-15(17,18)19/h1-8H,20H2.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine has a molecular weight of 338.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is sourced from PubChem (CID 135171328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).