4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C11H12Cl2F3N5 — CID 126823784

IUPAC4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1nn(C)c(Cl)c1CNc1nn(CC(F)(F)F)cc1Cl
InChIInChI=1S/C11H12Cl2F3N5/c1-6-7(9(13)20(2)18-6)3-17-10-8(12)4-21(19-10)5-11(14,15)16/h4H,3,5H2,1-2H3,(H,17,19)
InChIKeyLYNVZEJMGQLBFM-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.41
Rot. Bonds4

About 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 126823784) has the molecular formula C11H12Cl2F3N5 and a molecular weight of 342.15 g/mol. Its IUPAC name is 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID126823784
Molecular FormulaC11H12Cl2F3N5
Molecular Weight342.15 g/mol
Exact Mass341.04
IUPAC Name4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1nn(C)c(Cl)c1CNc1nn(CC(F)(F)F)cc1Cl
InChIInChI=1S/C11H12Cl2F3N5/c1-6-7(9(13)20(2)18-6)3-17-10-8(12)4-21(19-10)5-11(14,15)16/h4H,3,5H2,1-2H3,(H,17,19)
InChIKeyLYNVZEJMGQLBFM-UHFFFAOYSA-N
XLogP3.41
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176038
4-Chloro-1-((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 7176059
4-chloro-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616393
4-chloro-1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 19616631
5-Amino-1-(4-chloro-1-methyl-5-trifluoromethyl3-pyrazolyl)-4-cyanopyrazole
CID 22912794
5-Amino-1-[4-chloro-5-(difluoromethyl)-1-methylpyrazol-3-yl]pyrazole-4-carbonitrile
CID 22912797
1-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-methylpyrazole-4-carbothioamide
CID 53826363
1-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrazole-4-carbothioamide
CID 141861726
[1,3-Dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]methanamine
CID 64175033
1-[1,3-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-yl]-N-methylmethanamine
CID 64177929
4-(Chloromethyl)-1,3-dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazole
CID 64178449
1-(difluoromethyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
CID 122166632

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 126823784) is 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Cc1nn(C)c(Cl)c1CNc1nn(CC(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is LYNVZEJMGQLBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3N5/c1-6-7(9(13)20(2)18-6)3-17-10-8(12)4-21(19-10)5-11(14,15)16/h4H,3,5H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 342.15 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 126823784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).