1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine

C9H10F3N5 — CID 19618534

IUPAC1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine
SMILESCc1cc(C(F)(F)F)nn1Cn1cc(N)cn1
InChIInChI=1S/C9H10F3N5/c1-6-2-8(9(10,11)12)15-17(6)5-16-4-7(13)3-14-16/h2-4H,5,13H2,1H3
InChIKeyMSTVTFJSNUIMBT-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.49
Rot. Bonds2

About 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine

1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine (PubChem CID 19618534) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine
PubChem CID19618534
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine
SMILESCc1cc(C(F)(F)F)nn1Cn1cc(N)cn1
InChIInChI=1S/C9H10F3N5/c1-6-2-8(9(10,11)12)15-17(6)5-16-4-7(13)3-14-16/h2-4H,5,13H2,1H3
InChIKeyMSTVTFJSNUIMBT-UHFFFAOYSA-N
XLogP1.49
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine (CID 19618534) is 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine is Cc1cc(C(F)(F)F)nn1Cn1cc(N)cn1.
What is the InChIKey of 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine?
The InChIKey is MSTVTFJSNUIMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-6-2-8(9(10,11)12)15-17(6)5-16-4-7(13)3-14-16/h2-4H,5,13H2,1H3.
What are the key properties of 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine?
1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine has a molecular weight of 245.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 19618534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).