N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

C16H32N8 — CID 162144971

IUPACN'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]ncc1CN(C)CCN.Cc1[nH]ncc1CN(C)CCN
InChIInChI=1S/2C8H16N4/c2*1-7-8(5-10-11-7)6-12(2)4-3-9/h2*5H,3-4,6,9H2,1-2H3,(H,10,11)
InChIKeyZKKVSGJOTBHNNS-UHFFFAOYSA-N
MW336.49 g/mol
LogP0.22
Rot. Bonds8

About N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 162144971) has the molecular formula C16H32N8 and a molecular weight of 336.49 g/mol. Its IUPAC name is N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID162144971
Molecular FormulaC16H32N8
Molecular Weight336.49 g/mol
Exact Mass336.27
IUPAC NameN'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]ncc1CN(C)CCN.Cc1[nH]ncc1CN(C)CCN
InChIInChI=1S/2C8H16N4/c2*1-7-8(5-10-11-7)6-12(2)4-3-9/h2*5H,3-4,6,9H2,1-2H3,(H,10,11)
InChIKeyZKKVSGJOTBHNNS-UHFFFAOYSA-N
XLogP0.22
TPSA115.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 118972141
N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 86301376
N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303534
N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303686
2-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]benzoic acid
CID 77081201
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
N'-[[5-[(3E,5E)-5-fluorohepta-3,5-dien-3-yl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 129210460
N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide
CID 90433935
N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86301219
N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 86303224
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-5-methyl-1H-pyrazole
CID 54982746

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (CID 162144971) is N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is Cc1[nH]ncc1CN(C)CCN.Cc1[nH]ncc1CN(C)CCN.
What is the InChIKey of N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is ZKKVSGJOTBHNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N4/c2*1-7-8(5-10-11-7)6-12(2)4-3-9/h2*5H,3-4,6,9H2,1-2H3,(H,10,11).
What are the key properties of N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 336.49 g/mol, XLogP of 0.22, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 162144971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).