5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine

C12H16N4 — CID 83864052

IUPAC5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
SMILESCc1cccc(-n2nc(N)cc2CCN)c1
InChIInChI=1S/C12H16N4/c1-9-3-2-4-10(7-9)16-11(5-6-13)8-12(14)15-16/h2-4,7-8H,5-6,13H2,1H3,(H2,14,15)
InChIKeyJYRNHIDAFJNKJV-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.26
Rot. Bonds3

About 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine

5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine (PubChem CID 83864052) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
PubChem CID83864052
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
SMILESCc1cccc(-n2nc(N)cc2CCN)c1
InChIInChI=1S/C12H16N4/c1-9-3-2-4-10(7-9)16-11(5-6-13)8-12(14)15-16/h2-4,7-8H,5-6,13H2,1H3,(H2,14,15)
InChIKeyJYRNHIDAFJNKJV-UHFFFAOYSA-N
XLogP1.26
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-1-(4-chlorophenyl)pyrazol-3-amine
CID 83868883
5-(2-aminoethyl)-2-(3-methylphenyl)-4H-1,2,4-triazol-3-one
CID 136999513
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
CID 83868863
5-(2-aminoethyl)-1-methylpyrazol-3-amine
CID 83864147
2-[4-chloro-1-(3-methylphenyl)pyrazol-3-yl]ethanamine
CID 83896835
[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride
CID 68802903
3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine
CID 115053250
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82081655
5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863937
5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795574
ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 75357933

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine?
The IUPAC name of 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine (CID 83864052) is 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine?
The canonical SMILES for 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine is Cc1cccc(-n2nc(N)cc2CCN)c1.
What is the InChIKey of 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine?
The InChIKey is JYRNHIDAFJNKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-3-2-4-10(7-9)16-11(5-6-13)8-12(14)15-16/h2-4,7-8H,5-6,13H2,1H3,(H2,14,15).
What are the key properties of 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine?
5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine has a molecular weight of 216.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 83864052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).