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

C16H24N4 — CID 104869964

IUPACN'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCC(C)n1cc(CN(CCN)Cc2ccccc2)cn1
InChIInChI=1S/C16H24N4/c1-14(2)20-13-16(10-18-20)12-19(9-8-17)11-15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12,17H2,1-2H3
InChIKeyVMDQTWMOFVHESE-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.42
Rot. Bonds7

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

N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 104869964) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID104869964
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCC(C)n1cc(CN(CCN)Cc2ccccc2)cn1
InChIInChI=1S/C16H24N4/c1-14(2)20-13-16(10-18-20)12-19(9-8-17)11-15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12,17H2,1-2H3
InChIKeyVMDQTWMOFVHESE-UHFFFAOYSA-N
XLogP2.42
TPSA47.08 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-[(1-butan-2-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799449
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629
N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912684
N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844295
N'-benzyl-N'-[(4-bromo-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844337
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride
CID 120844370

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 104869964) is N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine is CC(C)n1cc(CN(CCN)Cc2ccccc2)cn1.
What is the InChIKey of N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is VMDQTWMOFVHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-14(2)20-13-16(10-18-20)12-19(9-8-17)11-15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12,17H2,1-2H3.
What are the key properties of N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104869964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).