1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine

C9H14F3N3 — CID 118357705

IUPAC1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine
SMILESCCn1cc(CN(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-4-15-6-7(5-14(2)3)8(13-15)9(10,11)12/h6H,4-5H2,1-3H3
InChIKeyCXJGVXQZJHEXRE-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.98
Rot. Bonds3

About 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine

1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 118357705) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine
PubChem CID118357705
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine
SMILESCCn1cc(CN(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-4-15-6-7(5-14(2)3)8(13-15)9(10,11)12/h6H,4-5H2,1-3H3
InChIKeyCXJGVXQZJHEXRE-UHFFFAOYSA-N
XLogP1.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diethyl-3-(trifluoromethyl)pyrazole
CID 155736271
N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 135215875
4-(difluoromethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
CID 118357698
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478680
1-ethyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 97182144
2-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrimidine-4-carbonitrile
CID 163347826
3-tert-butyl-1-ethyl-4-fluoropyrazole
CID 146379463
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 17020811
2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006317
1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole
CID 167075132
1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole;[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 165035595
(2R)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 51390015

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine (CID 118357705) is 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine is CCn1cc(CN(C)C)c(C(F)(F)F)n1.
What is the InChIKey of 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is CXJGVXQZJHEXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-4-15-6-7(5-14(2)3)8(13-15)9(10,11)12/h6H,4-5H2,1-3H3.
What are the key properties of 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine?
1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 221.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 118357705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).