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

C10H13ClF3N5 — CID 146194955

IUPAC[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)cc1Cn1cc(CN)cn1
InChIInChI=1S/C10H12F3N5.ClH/c1-17-8(2-9(16-17)10(11,12)13)6-18-5-7(3-14)4-15-18;/h2,4-5H,3,6,14H2,1H3;1H
InChIKeyYRNMKAVVLBVUIR-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.56
Rot. Bonds3

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

[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 146194955) has the molecular formula C10H13ClF3N5 and a molecular weight of 295.70 g/mol. Its IUPAC name is [1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
PubChem CID146194955
Molecular FormulaC10H13ClF3N5
Molecular Weight295.70 g/mol
Exact Mass295.08
IUPAC Name[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)cc1Cn1cc(CN)cn1
InChIInChI=1S/C10H12F3N5.ClH/c1-17-8(2-9(16-17)10(11,12)13)6-18-5-7(3-14)4-15-18;/h2,4-5H,3,6,14H2,1H3;1H
InChIKeyYRNMKAVVLBVUIR-UHFFFAOYSA-N
XLogP1.56
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride (CID 146194955) is [1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride is Cl.Cn1nc(C(F)(F)F)cc1Cn1cc(CN)cn1.
What is the InChIKey of [1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is YRNMKAVVLBVUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5.ClH/c1-17-8(2-9(16-17)10(11,12)13)6-18-5-7(3-14)4-15-18;/h2,4-5H,3,6,14H2,1H3;1H.
What are the key properties of [1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride?
[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 295.70 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 146194955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).