N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine

C14H28N4 — CID 103673607

IUPACN',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCCn1cc(CNCCCN(CC)CC)cn1
InChIInChI=1S/C14H28N4/c1-4-9-18-13-14(12-16-18)11-15-8-7-10-17(5-2)6-3/h12-13,15H,4-11H2,1-3H3
InChIKeyJZNRYOLVHNDLHE-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.11
Rot. Bonds10

About N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine

N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 103673607) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID103673607
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCCCn1cc(CNCCCN(CC)CC)cn1
InChIInChI=1S/C14H28N4/c1-4-9-18-13-14(12-16-18)11-15-8-7-10-17(5-2)6-3/h12-13,15H,4-11H2,1-3H3
InChIKeyJZNRYOLVHNDLHE-UHFFFAOYSA-N
XLogP2.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine 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',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine
CID 122166208
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 122166252
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 103701847
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115632420
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126966477
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 103673607) is N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine is CCCn1cc(CNCCCN(CC)CC)cn1.
What is the InChIKey of N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is JZNRYOLVHNDLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-9-18-13-14(12-16-18)11-15-8-7-10-17(5-2)6-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine?
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 103673607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).