5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one

C11H13N3O — CID 71601098

IUPAC5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
SMILESCN(Cc1cc(=O)[nH][nH]1)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-14(10-5-3-2-4-6-10)8-9-7-11(15)13-12-9/h2-7H,8H2,1H3,(H2,12,13,15)
InChIKeyDPIRLKDBVHUHBY-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.34
Rot. Bonds3

About 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one

5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 71601098) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
PubChem CID71601098
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
SMILESCN(Cc1cc(=O)[nH][nH]1)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-14(10-5-3-2-4-6-10)8-9-7-11(15)13-12-9/h2-7H,8H2,1H3,(H2,12,13,15)
InChIKeyDPIRLKDBVHUHBY-UHFFFAOYSA-N
XLogP1.34
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one (CID 71601098) is 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one is CN(Cc1cc(=O)[nH][nH]1)c1ccccc1.
What is the InChIKey of 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is DPIRLKDBVHUHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14(10-5-3-2-4-6-10)8-9-7-11(15)13-12-9/h2-7H,8H2,1H3,(H2,12,13,15).
What are the key properties of 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one?
5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-methylanilino)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 71601098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).