3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine

C17H31N3 — CID 64801922

IUPAC3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C17H31N3/c1-4-10-18-16-8-6-5-7-15(12-16)13-17-9-11-20(19-17)14(2)3/h9,11,14-16,18H,4-8,10,12-13H2,1-3H3
InChIKeyLNCNJZBRDJSPFT-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.95
Rot. Bonds6

About 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine

3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine (PubChem CID 64801922) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine
PubChem CID64801922
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCC(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C17H31N3/c1-4-10-18-16-8-6-5-7-15(12-16)13-17-9-11-20(19-17)14(2)3/h9,11,14-16,18H,4-8,10,12-13H2,1-3H3
InChIKeyLNCNJZBRDJSPFT-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-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-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64801340
3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine
CID 82870644
3-[(3-chlorocyclohexyl)methyl]-1-propan-2-ylpyrazole
CID 64801732
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
3-[(3-bromocycloheptyl)methyl]-1-butan-2-ylpyrazole
CID 64778953
N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104737007
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(chloromethyl)cyclohexan-1-amine
CID 112752753
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
3-[(3-bromocyclohexyl)methyl]-1-butan-2-ylpyrazole
CID 64778951
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine
CID 104811976

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine?
The IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine (CID 64801922) is 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine?
The canonical SMILES for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine is CCCNC1CCCCC(Cc2ccn(C(C)C)n2)C1.
What is the InChIKey of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine?
The InChIKey is LNCNJZBRDJSPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-10-18-16-8-6-5-7-15(12-16)13-17-9-11-20(19-17)14(2)3/h9,11,14-16,18H,4-8,10,12-13H2,1-3H3.
What are the key properties of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine?
3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine is sourced from PubChem (CID 64801922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).