N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine

C10H20N4 — CID 62127234

IUPACN'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)Cc1cnn(C)c1
InChIInChI=1S/C10H20N4/c1-3-5-14(6-4-11)9-10-7-12-13(2)8-10/h7-8H,3-6,9,11H2,1-2H3
InChIKeyAIIHJCTYRSUIRJ-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.59
Rot. Bonds6

About N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine

N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 62127234) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
PubChem CID62127234
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)Cc1cnn(C)c1
InChIInChI=1S/C10H20N4/c1-3-5-14(6-4-11)9-10-7-12-13(2)8-10/h7-8H,3-6,9,11H2,1-2H3
InChIKeyAIIHJCTYRSUIRJ-UHFFFAOYSA-N
XLogP0.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
2-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 62125850
3-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 55041381
ethane;4-ethyl-1-methylpyrazole
CID 143829284
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912684
2-[2-(1-methylpyrazol-4-yl)ethyl-propylamino]ethanethioamide
CID 103002627
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152
3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile
CID 60691101

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine (CID 62127234) is N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine is CCCN(CCN)Cc1cnn(C)c1.
What is the InChIKey of N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is AIIHJCTYRSUIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-5-14(6-4-11)9-10-7-12-13(2)8-10/h7-8H,3-6,9,11H2,1-2H3.
What are the key properties of N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine?
N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62127234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).