N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine

C16H24N4 — CID 62887436

IUPACN',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H24N4/c1-3-19(4-2)13-11-17-14-15-10-12-20(18-15)16-8-6-5-7-9-16/h5-10,12,17H,3-4,11,13-14H2,1-2H3
InChIKeyNXMBRNPDVZCTQQ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.30
Rot. Bonds8

About N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 62887436) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID62887436
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H24N4/c1-3-19(4-2)13-11-17-14-15-10-12-20(18-15)16-8-6-5-7-9-16/h5-10,12,17H,3-4,11,13-14H2,1-2H3
InChIKeyNXMBRNPDVZCTQQ-UHFFFAOYSA-N
XLogP2.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.30
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-phenylpyrazol-3-yl)methyl]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

3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 63332874
3-cyclopentyl-N-[(1-phenylpyrazol-3-yl)methyl]propan-1-amine
CID 106008498
N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine
CID 107590369
N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 78922115
1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 83093025
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 103908833
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 62885165
N-[[1-[(1-phenylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718601
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 62887436) is N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1ccn(-c2ccccc2)n1.
What is the InChIKey of N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is NXMBRNPDVZCTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-19(4-2)13-11-17-14-15-10-12-20(18-15)16-8-6-5-7-9-16/h5-10,12,17H,3-4,11,13-14H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.30, 8 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-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62887436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).