N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine

C17H32N4 — CID 114557739

IUPACN-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
SMILESCCCn1nccc1C1C(CNC(C)C)CCCCN1C
InChIInChI=1S/C17H32N4/c1-5-11-21-16(9-10-19-21)17-15(13-18-14(2)3)8-6-7-12-20(17)4/h9-10,14-15,17-18H,5-8,11-13H2,1-4H3
InChIKeyWCOOUBTYINWYOO-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.06
Rot. Bonds6

About N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine

N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine (PubChem CID 114557739) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
PubChem CID114557739
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
SMILESCCCn1nccc1C1C(CNC(C)C)CCCCN1C
InChIInChI=1S/C17H32N4/c1-5-11-21-16(9-10-19-21)17-15(13-18-14(2)3)8-6-7-12-20(17)4/h9-10,14-15,17-18H,5-8,11-13H2,1-4H3
InChIKeyWCOOUBTYINWYOO-UHFFFAOYSA-N
XLogP3.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-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-[[1-methyl-2-(2-propylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 114557688
N-[[2-(2-ethylpyrazol-3-yl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 114557742
N-[[1-methyl-2-(3-propylimidazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 66131375
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232
1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
CID 114557827
N-[[3-(2-ethylpyrazol-3-yl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 114557715
[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine
CID 114557755
N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine
CID 79584333
N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81028153
2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine
CID 114557828
N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 113329208
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 114488894

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine (CID 114557739) is N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine is CCCn1nccc1C1C(CNC(C)C)CCCCN1C.
What is the InChIKey of N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine?
The InChIKey is WCOOUBTYINWYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-11-21-16(9-10-19-21)17-15(13-18-14(2)3)8-6-7-12-20(17)4/h9-10,14-15,17-18H,5-8,11-13H2,1-4H3.
What are the key properties of N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine?
N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114557739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).