N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine

C17H31N3 — CID 115989316

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCc2cn(C)nc2CC)CC1
InChIInChI=1S/C17H31N3/c1-4-7-14-8-6-9-16(11-10-14)18-12-15-13-20(3)19-17(15)5-2/h13-14,16,18H,4-12H2,1-3H3
InChIKeyKIVMEPIXTNNEOD-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.82
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 115989316) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
PubChem CID115989316
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCc2cn(C)nc2CC)CC1
InChIInChI=1S/C17H31N3/c1-4-7-14-8-6-9-16(11-10-14)18-12-15-13-20(3)19-17(15)5-2/h13-14,16,18H,4-12H2,1-3H3
InChIKeyKIVMEPIXTNNEOD-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103893990
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 112549377
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 112668413
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112549288
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 115885666
3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine
CID 107462402
4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 60958007
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine (CID 115989316) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(NCc2cn(C)nc2CC)CC1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is KIVMEPIXTNNEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-7-14-8-6-9-16(11-10-14)18-12-15-13-20(3)19-17(15)5-2/h13-14,16,18H,4-12H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 115989316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).