1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine

C7H9ClF3N3 — CID 70967699

IUPAC1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7H9ClF3N3/c1-12-3-4-5(8)6(7(9,10)11)14(2)13-4/h12H,3H2,1-2H3
InChIKeyQVKRHWXYXTXCFV-UHFFFAOYSA-N
MW227.62 g/mol
LogP1.81
Rot. Bonds2

About 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine

1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine (PubChem CID 70967699) has the molecular formula C7H9ClF3N3 and a molecular weight of 227.62 g/mol. Its IUPAC name is 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine
PubChem CID70967699
Molecular FormulaC7H9ClF3N3
Molecular Weight227.62 g/mol
Exact Mass227.04
IUPAC Name1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7H9ClF3N3/c1-12-3-4-5(8)6(7(9,10)11)14(2)13-4/h12H,3H2,1-2H3
InChIKeyQVKRHWXYXTXCFV-UHFFFAOYSA-N
XLogP1.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine 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-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanamine hydrochloride
CID 16192641
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine hydrochloride
CID 90484320
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
1-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 71053772
[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine hydrochloride
CID 90482944
methyl({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl})amine hydrochloride
CID 90486250
5-(difluoromethyl)-1,3-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 132586028
(4-iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanamine hydrochloride
CID 137964091
(3-(difluoromethyl)-1-methyl-1H-pyrazol-5-yl)methanamine hydrochloride
CID 138040498
4-Chloro-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole
CID 129794178

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine (CID 70967699) is 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine is CNCc1nn(C)c(C(F)(F)F)c1Cl.
What is the InChIKey of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is QVKRHWXYXTXCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3N3/c1-12-3-4-5(8)6(7(9,10)11)14(2)13-4/h12H,3H2,1-2H3.
What are the key properties of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine?
1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 227.62 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 70967699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).