2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride

C10H15ClF3N3O2 — CID 119913007

IUPAC2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)Cc1cnn(C)c1C(F)(F)F.Cl
InChIInChI=1S/C10H14F3N3O2.ClH/c1-6(9(17)18)15(2)5-7-4-14-16(3)8(7)10(11,12)13;/h4,6H,5H2,1-3H3,(H,17,18);1H
InChIKeyLDBINWNIPPUYHU-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.77
Rot. Bonds4

About 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride

2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride (PubChem CID 119913007) has the molecular formula C10H15ClF3N3O2 and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride
PubChem CID119913007
Molecular FormulaC10H15ClF3N3O2
Molecular Weight301.70 g/mol
Exact Mass301.08
IUPAC Name2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)Cc1cnn(C)c1C(F)(F)F.Cl
InChIInChI=1S/C10H14F3N3O2.ClH/c1-6(9(17)18)15(2)5-7-4-14-16(3)8(7)10(11,12)13;/h4,6H,5H2,1-3H3,(H,17,18);1H
InChIKeyLDBINWNIPPUYHU-UHFFFAOYSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride (CID 119913007) is 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride is CC(C(=O)O)N(C)Cc1cnn(C)c1C(F)(F)F.Cl.
What is the InChIKey of 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride?
The InChIKey is LDBINWNIPPUYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2.ClH/c1-6(9(17)18)15(2)5-7-4-14-16(3)8(7)10(11,12)13;/h4,6H,5H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride?
2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride has a molecular weight of 301.70 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).