1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride

C11H15ClF3N5 — CID 175094977

IUPAC1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride
SMILESCCn1nc(C(F)(F)F)cc1Cn1cc(NC)cn1.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-3-19-9(4-10(17-19)11(12,13)14)7-18-6-8(15-2)5-16-18;/h4-6,15H,3,7H2,1-2H3;1H
InChIKeyACHQABDOMCUJIH-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.63
Rot. Bonds4

About 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride

1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride (PubChem CID 175094977) has the molecular formula C11H15ClF3N5 and a molecular weight of 309.72 g/mol. Its IUPAC name is 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride
PubChem CID175094977
Molecular FormulaC11H15ClF3N5
Molecular Weight309.72 g/mol
Exact Mass309.10
IUPAC Name1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride
SMILESCCn1nc(C(F)(F)F)cc1Cn1cc(NC)cn1.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-3-19-9(4-10(17-19)11(12,13)14)7-18-6-8(15-2)5-16-18;/h4-6,15H,3,7H2,1-2H3;1H
InChIKeyACHQABDOMCUJIH-UHFFFAOYSA-N
XLogP2.63
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride (CID 175094977) is 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride is CCn1nc(C(F)(F)F)cc1Cn1cc(NC)cn1.Cl.
What is the InChIKey of 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride?
The InChIKey is ACHQABDOMCUJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5.ClH/c1-3-19-9(4-10(17-19)11(12,13)14)7-18-6-8(15-2)5-16-18;/h4-6,15H,3,7H2,1-2H3;1H.
What are the key properties of 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride?
1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride has a molecular weight of 309.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-N-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 175094977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).