N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine

C15H29N3 — CID 65195228

IUPACN,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1cnn(C)c1
InChIInChI=1S/C15H29N3/c1-5-8-9-13(6-2)10-15(16-7-3)14-11-17-18(4)12-14/h11-13,15-16H,5-10H2,1-4H3
InChIKeyDJMMMLCBVRDCFE-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.68
Rot. Bonds9

About N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine

N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine (PubChem CID 65195228) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine
PubChem CID65195228
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1cnn(C)c1
InChIInChI=1S/C15H29N3/c1-5-8-9-13(6-2)10-15(16-7-3)14-11-17-18(4)12-14/h11-13,15-16H,5-10H2,1-4H3
InChIKeyDJMMMLCBVRDCFE-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-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-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392
N,3-diethyl-1-(4-iodophenyl)heptan-1-amine
CID 115805946
N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine
CID 62730156
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
1-(1-methylpyrazol-4-yl)hexylhydrazine
CID 105228484
N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
CID 65195286
N-ethyl-1-(1-methylpyrazol-4-yl)pent-3-yn-1-amine
CID 65200186
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
CID 114246305
N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine
CID 79712767
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine?
The IUPAC name of N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine (CID 65195228) is N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine?
The canonical SMILES for N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine is CCCCC(CC)CC(NCC)c1cnn(C)c1.
What is the InChIKey of N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine?
The InChIKey is DJMMMLCBVRDCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-8-9-13(6-2)10-15(16-7-3)14-11-17-18(4)12-14/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine?
N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(1-methylpyrazol-4-yl)heptan-1-amine is sourced from PubChem (CID 65195228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).