N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine

C8H16N4 — CID 66657947

IUPACN'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)c1ccnn1C
InChIInChI=1S/C8H16N4/c1-7(10-6-4-9)8-3-5-11-12(8)2/h3,5,7,10H,4,6,9H2,1-2H3
InChIKeyFRCCIPSYFZSTRJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.03
Rot. Bonds4

About N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine

N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine (PubChem CID 66657947) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
PubChem CID66657947
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)c1ccnn1C
InChIInChI=1S/C8H16N4/c1-7(10-6-4-9)8-3-5-11-12(8)2/h3,5,7,10H,4,6,9H2,1-2H3
InChIKeyFRCCIPSYFZSTRJ-UHFFFAOYSA-N
XLogP0.03
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
CID 106758084
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide
CID 106757728
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine (CID 66657947) is N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine is CC(NCCN)c1ccnn1C.
What is the InChIKey of N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine?
The InChIKey is FRCCIPSYFZSTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(10-6-4-9)8-3-5-11-12(8)2/h3,5,7,10H,4,6,9H2,1-2H3.
What are the key properties of N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine?
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 66657947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).