4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C9H8F3N5 — CID 171789180

IUPAC4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1c(C(F)(F)F)nn(-c2ncccn2)c1N
InChIInChI=1S/C9H8F3N5/c1-5-6(9(10,11)12)16-17(7(5)13)8-14-3-2-4-15-8/h2-4H,13H2,1H3
InChIKeyBGYKINYWLUDLHB-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.57
Rot. Bonds1

About 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789180) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789180
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1c(C(F)(F)F)nn(-c2ncccn2)c1N
InChIInChI=1S/C9H8F3N5/c1-5-6(9(10,11)12)16-17(7(5)13)8-14-3-2-4-15-8/h2-4H,13H2,1H3
InChIKeyBGYKINYWLUDLHB-UHFFFAOYSA-N
XLogP1.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 171789180) is 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is Cc1c(C(F)(F)F)nn(-c2ncccn2)c1N.
What is the InChIKey of 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is BGYKINYWLUDLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c1-5-6(9(10,11)12)16-17(7(5)13)8-14-3-2-4-15-8/h2-4H,13H2,1H3.
What are the key properties of 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 243.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).