3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine

C17H30BrN3 — CID 83150655

IUPAC3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
SMILESCCc1nn(C)c(CC(C)(CNC(C)(C)C)C2CC2)c1Br
InChIInChI=1S/C17H30BrN3/c1-7-13-15(18)14(21(6)20-13)10-17(5,12-8-9-12)11-19-16(2,3)4/h12,19H,7-11H2,1-6H3
InChIKeyJNFJCKDRSSCKFH-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.09
Rot. Bonds6

About 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine

3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine (PubChem CID 83150655) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
PubChem CID83150655
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC Name3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
SMILESCCc1nn(C)c(CC(C)(CNC(C)(C)C)C2CC2)c1Br
InChIInChI=1S/C17H30BrN3/c1-7-13-15(18)14(21(6)20-13)10-17(5,12-8-9-12)11-19-16(2,3)4/h12,19H,7-11H2,1-6H3
InChIKeyJNFJCKDRSSCKFH-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83148626
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine
CID 83159864
N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641182
4-bromo-5-(3-chloro-2,2-dimethylpropyl)-3-ethyl-1-methylpyrazole
CID 66058486
4-bromo-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033623
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053545
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900380
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
4-bromo-5-[2-(bromomethyl)-2-ethylbutyl]-3-ethyl-1-methylpyrazole
CID 66050243
N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66194590
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941895
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylbutanoic acid
CID 81004279

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine?
The IUPAC name of 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine (CID 83150655) is 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine is CCc1nn(C)c(CC(C)(CNC(C)(C)C)C2CC2)c1Br.
What is the InChIKey of 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine?
The InChIKey is JNFJCKDRSSCKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-7-13-15(18)14(21(6)20-13)10-17(5,12-8-9-12)11-19-16(2,3)4/h12,19H,7-11H2,1-6H3.
What are the key properties of 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine?
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine has a molecular weight of 356.35 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine is sourced from PubChem (CID 83150655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).