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

C16H24N4 — CID 62635762

IUPACN'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)N(C)CCNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H24N4/c1-14(2)19(3)12-10-17-13-15-5-7-16(8-6-15)20-11-4-9-18-20/h4-9,11,14,17H,10,12-13H2,1-3H3
InChIKeyZWGSYJQTHOMYSV-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.30
Rot. Bonds7

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

N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine (PubChem CID 62635762) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
PubChem CID62635762
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)N(C)CCNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H24N4/c1-14(2)19(3)12-10-17-13-15-5-7-16(8-6-15)20-11-4-9-18-20/h4-9,11,14,17H,10,12-13H2,1-3H3
InChIKeyZWGSYJQTHOMYSV-UHFFFAOYSA-N
XLogP2.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'}

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Related Compounds

3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
3-butoxy-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 115573877
2-butoxy-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 61170676
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111247951
1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 65047843
1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 51100264
2,2-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylamino]butanoic acid
CID 122126715
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine (CID 62635762) is N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine is CC(C)N(C)CCNCc1ccc(-n2cccn2)cc1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is ZWGSYJQTHOMYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-14(2)19(3)12-10-17-13-15-5-7-16(8-6-15)20-11-4-9-18-20/h4-9,11,14,17H,10,12-13H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine?
N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62635762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).