4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one

C6H11N3O — CID 4715331

IUPAC4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CCN
InChIInChI=1S/C6H11N3O/c1-4-5(2-3-7)6(10)9-8-4/h2-3,7H2,1H3,(H2,8,9,10)
InChIKeyGTTHJSHNPZUIAV-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.49
Rot. Bonds2

About 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one

4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 4715331) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID4715331
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CCN
InChIInChI=1S/C6H11N3O/c1-4-5(2-3-7)6(10)9-8-4/h2-3,7H2,1H3,(H2,8,9,10)
InChIKeyGTTHJSHNPZUIAV-UHFFFAOYSA-N
XLogP-0.49
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one (CID 4715331) is 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is GTTHJSHNPZUIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-5(2-3-7)6(10)9-8-4/h2-3,7H2,1H3,(H2,8,9,10).
What are the key properties of 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one?
4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 4715331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).