2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine

C8H16N4 — CID 66692568

IUPAC2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
SMILESCc1[nH]nc(CCN)c1CCN
InChIInChI=1S/C8H16N4/c1-6-7(2-4-9)8(3-5-10)12-11-6/h2-5,9-10H2,1H3,(H,11,12)
InChIKeyLGNRLOMKMYKDSU-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.28
Rot. Bonds4

About 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine

2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine (PubChem CID 66692568) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
PubChem CID66692568
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
SMILESCc1[nH]nc(CCN)c1CCN
InChIInChI=1S/C8H16N4/c1-6-7(2-4-9)8(3-5-10)12-11-6/h2-5,9-10H2,1H3,(H,11,12)
InChIKeyLGNRLOMKMYKDSU-UHFFFAOYSA-N
XLogP-0.28
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-Trimethylpyrazole
CID 138528
3-Pentyl-4,5,6,7-tetrahydro-1H-indazole
CID 585962
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 650797
3,5-Dimethyl-4-ethylpyrazole
CID 572877
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
3,5-Diethyl-4-methylpyrazole
CID 139517
3-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 312127
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride
CID 17368230
4-(3-Bromopropyl)-3,5-dimethyl-1H-pyrazole
CID 129600822
3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 2736943
[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethyl]-methyl-amine
CID 6603359
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 6603655

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine (CID 66692568) is 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine is Cc1[nH]nc(CCN)c1CCN.
What is the InChIKey of 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The InChIKey is LGNRLOMKMYKDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6-7(2-4-9)8(3-5-10)12-11-6/h2-5,9-10H2,1H3,(H,11,12).
What are the key properties of 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine has a molecular weight of 168.24 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-5-methyl-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 66692568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).