1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine

C12H16F3N5 — CID 84592806

IUPAC1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1CNc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C12H16F3N5/c1-8-11(9(2)19(3)18-8)5-16-10-4-17-20(6-10)7-12(13,14)15/h4,6,16H,5,7H2,1-3H3
InChIKeyRECVLFMMTLJWBC-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.41
Rot. Bonds4

About 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine

1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 84592806) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
PubChem CID84592806
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1CNc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C12H16F3N5/c1-8-11(9(2)19(3)18-8)5-16-10-4-17-20(6-10)7-12(13,14)15/h4,6,16H,5,7H2,1-3H3
InChIKeyRECVLFMMTLJWBC-UHFFFAOYSA-N
XLogP2.41
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine (CID 84592806) is 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine is Cc1nn(C)c(C)c1CNc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is RECVLFMMTLJWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-8-11(9(2)19(3)18-8)5-16-10-4-17-20(6-10)7-12(13,14)15/h4,6,16H,5,7H2,1-3H3.
What are the key properties of 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine?
1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 287.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 84592806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).