1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine

C15H27N3 — CID 65083823

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
SMILESCCn1cc(CC2(N)CCCC(C)(C)CC2)cn1
InChIInChI=1S/C15H27N3/c1-4-18-12-13(11-17-18)10-15(16)7-5-6-14(2,3)8-9-15/h11-12H,4-10,16H2,1-3H3
InChIKeyUUOXQSYUXNDYFE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.13
Rot. Bonds3

About 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine

1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine (PubChem CID 65083823) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
PubChem CID65083823
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
SMILESCCn1cc(CC2(N)CCCC(C)(C)CC2)cn1
InChIInChI=1S/C15H27N3/c1-4-18-12-13(11-17-18)10-15(16)7-5-6-14(2,3)8-9-15/h11-12H,4-10,16H2,1-3H3
InChIKeyUUOXQSYUXNDYFE-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-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

2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127480
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclopentyl)ethanamine
CID 115822094
2-[4-[(1-aminocyclopropyl)methyl]pyrazol-1-yl]ethanol
CID 105439525
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115673834
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106829887
1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole
CID 79452025
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine
CID 80705361
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024888
1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine (CID 65083823) is 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine is CCn1cc(CC2(N)CCCC(C)(C)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine?
The InChIKey is UUOXQSYUXNDYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-18-12-13(11-17-18)10-15(16)7-5-6-14(2,3)8-9-15/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine?
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65083823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).