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

C9H10F3N5 — CID 19576722

IUPAC1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine
SMILESNc1cnn(CCn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C9H10F3N5/c10-9(11,12)8-1-2-16(15-8)3-4-17-6-7(13)5-14-17/h1-2,5-6H,3-4,13H2
InChIKeyLQLCCFCRRKSDJC-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.38
Rot. Bonds3

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

1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine (PubChem CID 19576722) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine
PubChem CID19576722
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine
SMILESNc1cnn(CCn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C9H10F3N5/c10-9(11,12)8-1-2-16(15-8)3-4-17-6-7(13)5-14-17/h1-2,5-6H,3-4,13H2
InChIKeyLQLCCFCRRKSDJC-UHFFFAOYSA-N
XLogP1.38
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine (CID 19576722) is 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine is Nc1cnn(CCn2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine?
The InChIKey is LQLCCFCRRKSDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c10-9(11,12)8-1-2-16(15-8)3-4-17-6-7(13)5-14-17/h1-2,5-6H,3-4,13H2.
What are the key properties of 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine?
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine has a molecular weight of 245.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazol-4-amine is sourced from PubChem (CID 19576722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).