3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine

C14H22BrN3 — CID 114664776

IUPAC3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC(C)n1ncc(Br)c1C1=CC(N)CC(C)(C)C1
InChIInChI=1S/C14H22BrN3/c1-9(2)18-13(12(15)8-17-18)10-5-11(16)7-14(3,4)6-10/h5,8-9,11H,6-7,16H2,1-4H3
InChIKeyXGAPDIFDTPKEED-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.76
Rot. Bonds2

About 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine

3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 114664776) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID114664776
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC(C)n1ncc(Br)c1C1=CC(N)CC(C)(C)C1
InChIInChI=1S/C14H22BrN3/c1-9(2)18-13(12(15)8-17-18)10-5-11(16)7-14(3,4)6-10/h5,8-9,11H,6-7,16H2,1-4H3
InChIKeyXGAPDIFDTPKEED-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine
CID 114690500
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3,3,5-trimethylcyclohexan-1-ol
CID 114633147
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine
CID 114664764
3-(4-bromo-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-one
CID 114663716
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohept-2-en-1-amine
CID 107383350
5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine
CID 114690501
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
CID 114636081
N-ethyl-6,6-dimethyl-1-propan-2-yl-5,7-dihydro-4H-indazol-4-amine
CID 65356402
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105042004
N-[[2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 114667559
6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine
CID 65356455
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-ethylcyclohexan-1-ol
CID 114635903

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine (CID 114664776) is 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine is CC(C)n1ncc(Br)c1C1=CC(N)CC(C)(C)C1.
What is the InChIKey of 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is XGAPDIFDTPKEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-9(2)18-13(12(15)8-17-18)10-5-11(16)7-14(3,4)6-10/h5,8-9,11H,6-7,16H2,1-4H3.
What are the key properties of 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine?
3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 312.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 114664776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).