3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine

C10H11BrF3N5 — CID 178129000

IUPAC3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine
SMILESCCn1cc(Nc2cn(C)nc2Br)c(C(F)(F)F)n1
InChIInChI=1S/C10H11BrF3N5/c1-3-19-5-6(8(16-19)10(12,13)14)15-7-4-18(2)17-9(7)11/h4-5,15H,3H2,1-2H3
InChIKeyOZTMPPAPSRVVDJ-UHFFFAOYSA-N
MW338.13 g/mol
LogP3.16
Rot. Bonds3

About 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine

3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine (PubChem CID 178129000) has the molecular formula C10H11BrF3N5 and a molecular weight of 338.13 g/mol. Its IUPAC name is 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine
PubChem CID178129000
Molecular FormulaC10H11BrF3N5
Molecular Weight338.13 g/mol
Exact Mass337.01
IUPAC Name3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine
SMILESCCn1cc(Nc2cn(C)nc2Br)c(C(F)(F)F)n1
InChIInChI=1S/C10H11BrF3N5/c1-3-19-5-6(8(16-19)10(12,13)14)15-7-4-18(2)17-9(7)11/h4-5,15H,3H2,1-2H3
InChIKeyOZTMPPAPSRVVDJ-UHFFFAOYSA-N
XLogP3.16
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Bromo-3-methyl-1H-pyrazol-1-YL)-N~1~-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-YL]propanamide
CID 19575978
1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 19620735
1-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine
CID 118288761
1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine
CID 118288764
1-[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine
CID 124193424
1-Butyl-3-(trifluoromethyl)pyrazol-4-amine
CID 138710494
4-Fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole
CID 139319927
3-(Bromomethyl)-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole
CID 166088123
1-(Difluoromethyl)-4-(3-methylpyrazol-1-yl)pyrazole
CID 169595075
3-bromo-5-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole
CID 173140171
N-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 175099407
1-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]triazole
CID 175997022

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine (CID 178129000) is 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine is CCn1cc(Nc2cn(C)nc2Br)c(C(F)(F)F)n1.
What is the InChIKey of 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine?
The InChIKey is OZTMPPAPSRVVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N5/c1-3-19-5-6(8(16-19)10(12,13)14)15-7-4-18(2)17-9(7)11/h4-5,15H,3H2,1-2H3.
What are the key properties of 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine?
3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine has a molecular weight of 338.13 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 178129000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).