N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C11H15BrF3N3 — CID 106212296

IUPACN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCc1nn(C)c(CNC2(C(F)(F)F)CC2)c1Br
InChIInChI=1S/C11H15BrF3N3/c1-3-7-9(12)8(18(2)17-7)6-16-10(4-5-10)11(13,14)15/h16H,3-6H2,1-2H3
InChIKeyITHUPIMGIBUBLY-UHFFFAOYSA-N
MW326.16 g/mol
LogP2.93
Rot. Bonds4

About N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106212296) has the molecular formula C11H15BrF3N3 and a molecular weight of 326.16 g/mol. Its IUPAC name is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106212296
Molecular FormulaC11H15BrF3N3
Molecular Weight326.16 g/mol
Exact Mass325.04
IUPAC NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCc1nn(C)c(CNC2(C(F)(F)F)CC2)c1Br
InChIInChI=1S/C11H15BrF3N3/c1-3-7-9(12)8(18(2)17-7)6-16-10(4-5-10)11(13,14)15/h16H,3-6H2,1-2H3
InChIKeyITHUPIMGIBUBLY-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212329
[1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 113313219
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 114119382
N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66024880
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760409
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941895
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 114545716
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]octan-1-amine
CID 115567685
1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451661
5-bromo-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine
CID 107320285
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-chloro-2,2-dimethylpentan-1-amine
CID 106141108

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106212296) is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is CCc1nn(C)c(CNC2(C(F)(F)F)CC2)c1Br.
What is the InChIKey of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is ITHUPIMGIBUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3/c1-3-7-9(12)8(18(2)17-7)6-16-10(4-5-10)11(13,14)15/h16H,3-6H2,1-2H3.
What are the key properties of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 326.16 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106212296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).