[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride

C10H11ClF3N5 — CID 146195235

IUPAC[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCc1cnc(C(F)(F)F)nc1-n1cc(CN)cn1.Cl
InChIInChI=1S/C10H10F3N5.ClH/c1-6-3-15-9(10(11,12)13)17-8(6)18-5-7(2-14)4-16-18;/h3-5H,2,14H2,1H3;1H
InChIKeyAEPJYACFBVEWQV-UHFFFAOYSA-N
MW293.68 g/mol
LogP1.87
Rot. Bonds2

About [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride

[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 146195235) has the molecular formula C10H11ClF3N5 and a molecular weight of 293.68 g/mol. Its IUPAC name is [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride
PubChem CID146195235
Molecular FormulaC10H11ClF3N5
Molecular Weight293.68 g/mol
Exact Mass293.07
IUPAC Name[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCc1cnc(C(F)(F)F)nc1-n1cc(CN)cn1.Cl
InChIInChI=1S/C10H10F3N5.ClH/c1-6-3-15-9(10(11,12)13)17-8(6)18-5-7(2-14)4-16-18;/h3-5H,2,14H2,1H3;1H
InChIKeyAEPJYACFBVEWQV-UHFFFAOYSA-N
XLogP1.87
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride (CID 146195235) is [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride is Cc1cnc(C(F)(F)F)nc1-n1cc(CN)cn1.Cl.
What is the InChIKey of [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is AEPJYACFBVEWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5.ClH/c1-6-3-15-9(10(11,12)13)17-8(6)18-5-7(2-14)4-16-18;/h3-5H,2,14H2,1H3;1H.
What are the key properties of [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride?
[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 293.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 146195235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).