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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Related Compounds

5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
CID 2317988
5-Methyl-s-triazolo(1,5-a)pyrimidine
CID 584230
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazole-3-carbonitrile
CID 72191825

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).