1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride

C11H15ClF3N5 — CID 126964008

IUPAC1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
SMILESCc1cnn(C)c1NCc1cnn(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-8-3-16-18(2)10(8)15-4-9-5-17-19(6-9)7-11(12,13)14;/h3,5-6,15H,4,7H2,1-2H3;1H
InChIKeyARKLYIOCRNZGOA-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.52
Rot. Bonds4

About 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride

1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride (PubChem CID 126964008) has the molecular formula C11H15ClF3N5 and a molecular weight of 309.72 g/mol. Its IUPAC name is 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
PubChem CID126964008
Molecular FormulaC11H15ClF3N5
Molecular Weight309.72 g/mol
Exact Mass309.10
IUPAC Name1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
SMILESCc1cnn(C)c1NCc1cnn(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-8-3-16-18(2)10(8)15-4-9-5-17-19(6-9)7-11(12,13)14;/h3,5-6,15H,4,7H2,1-2H3;1H
InChIKeyARKLYIOCRNZGOA-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride with MolForge

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Related Compounds

1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964967
1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
CID 122167858
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964358
3-methyl-1-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167868
3-methoxy-1-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126964248
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]butan-1-amine;hydrochloride
CID 126964946
1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine
CID 122167597
N',N'-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 126965096
4-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 121207449
1-(2-fluoroethyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126968159
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
CID 126965497

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride?
The IUPAC name of 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride (CID 126964008) is 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride?
The canonical SMILES for 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride is Cc1cnn(C)c1NCc1cnn(CC(F)(F)F)c1.Cl.
What is the InChIKey of 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride?
The InChIKey is ARKLYIOCRNZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5.ClH/c1-8-3-16-18(2)10(8)15-4-9-5-17-19(6-9)7-11(12,13)14;/h3,5-6,15H,4,7H2,1-2H3;1H.
What are the key properties of 1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride?
1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride has a molecular weight of 309.72 g/mol, XLogP of 2.52, 4 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-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 126964008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).