3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine

C8H6F3N5 — CID 102988586

IUPAC3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
SMILESNc1nccnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-3-15-16(4-5)7-6(12)13-1-2-14-7/h1-4H,(H2,12,13)
InChIKeyNVHRTERZSHYMET-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.26
Rot. Bonds1

About 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine

3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine (PubChem CID 102988586) has the molecular formula C8H6F3N5 and a molecular weight of 229.17 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
PubChem CID102988586
Molecular FormulaC8H6F3N5
Molecular Weight229.17 g/mol
Exact Mass229.06
IUPAC Name3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
SMILESNc1nccnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-3-15-16(4-5)7-6(12)13-1-2-14-7/h1-4H,(H2,12,13)
InChIKeyNVHRTERZSHYMET-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 175751887
5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868730
(1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
CID 114056524
5-nitro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868403
5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80989495
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 82995990
3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 80752611
1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-4-amine
CID 170699249
3-bromo-5-[[3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]benzonitrile
CID 156721724
4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine-5-carboxylic acid
CID 114213803
[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80902981

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine?
The IUPAC name of 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine (CID 102988586) is 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine is Nc1nccnc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine?
The InChIKey is NVHRTERZSHYMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)5-3-15-16(4-5)7-6(12)13-1-2-14-7/h1-4H,(H2,12,13).
What are the key properties of 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine?
3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine has a molecular weight of 229.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine is sourced from PubChem (CID 102988586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).