N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H28N4 — CID 62126512

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCn1cc(CNCCN(C(C)C)C(C)C)cn1
InChIInChI=1S/C14H28N4/c1-6-17-11-14(10-16-17)9-15-7-8-18(12(2)3)13(4)5/h10-13,15H,6-9H2,1-5H3
InChIKeyMYKWRKVFGDDYLW-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.11
Rot. Bonds8

About N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 62126512) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID62126512
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCn1cc(CNCCN(C(C)C)C(C)C)cn1
InChIInChI=1S/C14H28N4/c1-6-17-11-14(10-16-17)9-15-7-8-18(12(2)3)13(4)5/h10-13,15H,6-9H2,1-5H3
InChIKeyMYKWRKVFGDDYLW-UHFFFAOYSA-N
XLogP2.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-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-[(1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28600272
N'-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 62977038
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 63966878
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62125827
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115655686
4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
CID 62126521
N',N'-diethyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]propane-1,3-diamine
CID 122166208
N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine
CID 62127761

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 62126512) is N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CCn1cc(CNCCN(C(C)C)C(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is MYKWRKVFGDDYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-17-11-14(10-16-17)9-15-7-8-18(12(2)3)13(4)5/h10-13,15H,6-9H2,1-5H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62126512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).