1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride

C11H15ClF3N5 — CID 126965310

IUPAC1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cn(C)nc1NCc1cn(C)nc1C(F)(F)F.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-7-5-18(2)17-10(7)15-4-8-6-19(3)16-9(8)11(12,13)14;/h5-6H,4H2,1-3H3,(H,15,17);1H
InChIKeyWIPNAMKCBMNILQ-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.51
Rot. Bonds3

About 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride

1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126965310) has the molecular formula C11H15ClF3N5 and a molecular weight of 309.72 g/mol. Its IUPAC name is 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
PubChem CID126965310
Molecular FormulaC11H15ClF3N5
Molecular Weight309.72 g/mol
Exact Mass309.10
IUPAC Name1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cn(C)nc1NCc1cn(C)nc1C(F)(F)F.Cl
InChIInChI=1S/C11H14F3N5.ClH/c1-7-5-18(2)17-10(7)15-4-8-6-19(3)16-9(8)11(12,13)14;/h5-6H,4H2,1-3H3,(H,15,17);1H
InChIKeyWIPNAMKCBMNILQ-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

Analyze 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride with MolForge

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Related Compounds

3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
CID 122167934
3-tert-butyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133495057
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 122167904
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167928
2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride
CID 120705294
6-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyridazine-3-carbonitrile
CID 133421869
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
CID 132585916
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole
CID 146626732
1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126965103
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126965188
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599696

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride (CID 126965310) is 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride is Cc1cn(C)nc1NCc1cn(C)nc1C(F)(F)F.Cl.
What is the InChIKey of 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is WIPNAMKCBMNILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5.ClH/c1-7-5-18(2)17-10(7)15-4-8-6-19(3)16-9(8)11(12,13)14;/h5-6H,4H2,1-3H3,(H,15,17);1H.
What are the key properties of 1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-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-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126965310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).