2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C11H12F3N5 — CID 142794012

IUPAC2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCn1cc(C(CN)c2cnc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C11H12F3N5/c1-19-6-8(5-18-19)9(2-15)7-3-16-10(17-4-7)11(12,13)14/h3-6,9H,2,15H2,1H3
InChIKeyWALABAARIVKPAB-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.32
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 142794012) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID142794012
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCn1cc(C(CN)c2cnc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C11H12F3N5/c1-19-6-8(5-18-19)9(2-15)7-3-16-10(17-4-7)11(12,13)14/h3-6,9H,2,15H2,1H3
InChIKeyWALABAARIVKPAB-UHFFFAOYSA-N
XLogP1.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~,N~4~,N~4~,5-tetramethyl-N~2~-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 50955622
5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
5-ethyl-N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50976962
5-sec-butyl-6-chloro-2-(4-chloro-1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 16678108
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
5-sec-butyl-6-fluoro-2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 68949693
5-Sec-butyl-n4, n4-diethyl-2-(1h-pyrazol-1-yl)-n6-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 69254965
5-sec-butyl-6-chloro-2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 86627601
5-sec-butyl-6-bromo-2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 86627606
2-(1-Methylpyrazol-4-yl)-2-[4-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 117870362
2-(2-Methylpyrazol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 117870466
2,2-Difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
CID 143813096

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 142794012) is 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is Cn1cc(C(CN)c2cnc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is WALABAARIVKPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-19-6-8(5-18-19)9(2-15)7-3-16-10(17-4-7)11(12,13)14/h3-6,9H,2,15H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 271.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 142794012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).