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

C9H10F3N5 — CID 171789525

IUPAC4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1c(C(F)(F)F)nn(-c2ccn(C)n2)c1N
InChIInChI=1S/C9H10F3N5/c1-5-7(9(10,11)12)15-17(8(5)13)6-3-4-16(2)14-6/h3-4H,13H2,1-2H3
InChIKeyXDPPSXPRQRBXQI-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.52
Rot. Bonds1

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

4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789525) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789525
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1c(C(F)(F)F)nn(-c2ccn(C)n2)c1N
InChIInChI=1S/C9H10F3N5/c1-5-7(9(10,11)12)15-17(8(5)13)6-3-4-16(2)14-6/h3-4H,13H2,1-2H3
InChIKeyXDPPSXPRQRBXQI-UHFFFAOYSA-N
XLogP1.52
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 171789525) is 4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is Cc1c(C(F)(F)F)nn(-c2ccn(C)n2)c1N.
What is the InChIKey of 4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is XDPPSXPRQRBXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-5-7(9(10,11)12)15-17(8(5)13)6-3-4-16(2)14-6/h3-4H,13H2,1-2H3.
What are the key properties of 4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 245.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).