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

C11H15ClF3N5 — CID 146195333

IUPAC[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCCn1nc(C(F)(F)F)cc1Cn1cc(CN)cn1.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-2-19-9(3-10(17-19)11(12,13)14)7-18-6-8(4-15)5-16-18;/h3,5-6H,2,4,7,15H2,1H3;1H
InChIKeyPEQYUROYGHLXHW-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.05
Rot. Bonds4

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

[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 146195333) 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]pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
PubChem CID146195333
Molecular FormulaC11H15ClF3N5
Molecular Weight309.72 g/mol
Exact Mass309.10
IUPAC Name[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCCn1nc(C(F)(F)F)cc1Cn1cc(CN)cn1.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-2-19-9(3-10(17-19)11(12,13)14)7-18-6-8(4-15)5-16-18;/h3,5-6H,2,4,7,15H2,1H3;1H
InChIKeyPEQYUROYGHLXHW-UHFFFAOYSA-N
XLogP2.05
TPSA61.66 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride (CID 146195333) is [1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride is CCn1nc(C(F)(F)F)cc1Cn1cc(CN)cn1.Cl.
What is the InChIKey of [1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is PEQYUROYGHLXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5.ClH/c1-2-19-9(3-10(17-19)11(12,13)14)7-18-6-8(4-15)5-16-18;/h3,5-6H,2,4,7,15H2,1H3;1H.
What are the key properties of [1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 309.72 g/mol, XLogP of 2.05, 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]pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 146195333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).