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

C8H11ClF3N3 — CID 71053860

IUPAC1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8H11ClF3N3/c1-14(2)4-5-6(9)7(8(10,11)12)15(3)13-5/h4H2,1-3H3
InChIKeyUUWLQXJNCFDBMW-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.15
Rot. Bonds2

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

1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 71053860) has the molecular formula C8H11ClF3N3 and a molecular weight of 241.64 g/mol. Its IUPAC name is 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
PubChem CID71053860
Molecular FormulaC8H11ClF3N3
Molecular Weight241.64 g/mol
Exact Mass241.06
IUPAC Name1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8H11ClF3N3/c1-14(2)4-5-6(9)7(8(10,11)12)15(3)13-5/h4H2,1-3H3
InChIKeyUUWLQXJNCFDBMW-UHFFFAOYSA-N
XLogP2.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethylamine hydrochloride
CID 16192641
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CID 7017522
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 742296
1-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 71053772
(4-iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanamine hydrochloride
CID 137964091
4-Chloro-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole
CID 129794178
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N,N-diethylacetamide
CID 3455021
4-Chloro-1,5-dimethyl-3-(trifluoromethyl)-1h-pyrazole
CID 14770656
4-Chloro-1,3-dimethyl-5-(trifluoromethyl)pyrazole
CID 20616026
5-Tert-butyl-4-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157460

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine (CID 71053860) is 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1nn(C)c(C(F)(F)F)c1Cl.
What is the InChIKey of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is UUWLQXJNCFDBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3/c1-14(2)4-5-6(9)7(8(10,11)12)15(3)13-5/h4H2,1-3H3.
What are the key properties of 1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 241.64 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 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,N-dimethylmethanamine is sourced from PubChem (CID 71053860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).