(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine

C15H27N3 — CID 83088566

IUPAC(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)cc1CN[C@H](C)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-12(14-8-6-4-5-7-9-14)16-10-15-11-18(3)17-13(15)2/h11-12,14,16H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyZYLUTSBHLUBBAV-GFCCVEGCSA-N
MW249.40 g/mol
LogP3.18
Rot. Bonds4

About (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine

(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 83088566) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID83088566
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)cc1CN[C@H](C)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-12(14-8-6-4-5-7-9-14)16-10-15-11-18(3)17-13(15)2/h11-12,14,16H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyZYLUTSBHLUBBAV-GFCCVEGCSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine 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

(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 112705390
N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83229847
(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235981
[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
(1R)-1-cyclohexyl-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 81384664
1-cyclohexyl-N-[(2,4-dimethylphenyl)methyl]ethanamine
CID 63479047
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112668644
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine (CID 83088566) is (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)cc1CN[C@H](C)C1CCCCCC1.
What is the InChIKey of (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is ZYLUTSBHLUBBAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(14-8-6-4-5-7-9-14)16-10-15-11-18(3)17-13(15)2/h11-12,14,16H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 83088566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).