1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine

C10H10F3N3 — CID 66588278

IUPAC1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine
SMILESNc1ccn(C2C=CC=C(C(F)(F)F)C2)n1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-5,8H,6H2,(H2,14,15)
InChIKeyIMBOSRNRCIKDBC-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.45
Rot. Bonds1

About 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine

1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine (PubChem CID 66588278) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine
PubChem CID66588278
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine
SMILESNc1ccn(C2C=CC=C(C(F)(F)F)C2)n1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-5,8H,6H2,(H2,14,15)
InChIKeyIMBOSRNRCIKDBC-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine?
The IUPAC name of 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine (CID 66588278) is 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine is Nc1ccn(C2C=CC=C(C(F)(F)F)C2)n1.
What is the InChIKey of 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine?
The InChIKey is IMBOSRNRCIKDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-5,8H,6H2,(H2,14,15).
What are the key properties of 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine?
1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine has a molecular weight of 229.21 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine is sourced from PubChem (CID 66588278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).