5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine

C8H8F3N5 — CID 126743864

IUPAC5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2cc(C(F)(F)F)[nH]n2)n1
InChIInChI=1S/C8H8F3N5/c1-4-2-6(12)16(15-4)7-3-5(13-14-7)8(9,10)11/h2-3H,12H2,1H3,(H,13,14)
InChIKeyWCDQHCOATLPXQB-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.50
Rot. Bonds1

About 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine

5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine (PubChem CID 126743864) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine
PubChem CID126743864
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2cc(C(F)(F)F)[nH]n2)n1
InChIInChI=1S/C8H8F3N5/c1-4-2-6(12)16(15-4)7-3-5(13-14-7)8(9,10)11/h2-3H,12H2,1H3,(H,13,14)
InChIKeyWCDQHCOATLPXQB-UHFFFAOYSA-N
XLogP1.50
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine (CID 126743864) is 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine is Cc1cc(N)n(-c2cc(C(F)(F)F)[nH]n2)n1.
What is the InChIKey of 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine?
The InChIKey is WCDQHCOATLPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c1-4-2-6(12)16(15-4)7-3-5(13-14-7)8(9,10)11/h2-3H,12H2,1H3,(H,13,14).
What are the key properties of 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine?
5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine has a molecular weight of 231.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-3-amine is sourced from PubChem (CID 126743864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).