1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride

C11H15ClF3N5 — CID 126964654

IUPAC1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
SMILESCc1cnn(C)c1NCc1cnn(C)c1C(F)(F)F.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-7-4-16-19(3)10(7)15-5-8-6-17-18(2)9(8)11(12,13)14;/h4,6,15H,5H2,1-3H3;1H
InChIKeyUNINWURYCNGJRM-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.51
Rot. Bonds3

About 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride

1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride (PubChem CID 126964654) has the molecular formula C11H15ClF3N5 and a molecular weight of 309.72 g/mol. Its IUPAC name is 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
PubChem CID126964654
Molecular FormulaC11H15ClF3N5
Molecular Weight309.72 g/mol
Exact Mass309.10
IUPAC Name1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
SMILESCc1cnn(C)c1NCc1cnn(C)c1C(F)(F)F.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-7-4-16-19(3)10(7)15-5-8-6-17-18(2)9(8)11(12,13)14;/h4,6,15H,5H2,1-3H3;1H
InChIKeyUNINWURYCNGJRM-UHFFFAOYSA-N
XLogP2.51
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride?
The IUPAC name of 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride (CID 126964654) is 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride?
The canonical SMILES for 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride is Cc1cnn(C)c1NCc1cnn(C)c1C(F)(F)F.Cl.
What is the InChIKey of 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride?
The InChIKey is UNINWURYCNGJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5.ClH/c1-7-4-16-19(3)10(7)15-5-8-6-17-18(2)9(8)11(12,13)14;/h4,6,15H,5H2,1-3H3;1H.
What are the key properties of 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride?
1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride has a molecular weight of 309.72 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 126964654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).