N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide

C12H13N3O2 — CID 87067779

IUPACN-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide
SMILESCON(C)C(=O)c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C12H13N3O2/c1-15(17-2)12(16)10-5-3-4-9(8-10)11-6-7-13-14-11/h3-8H,1-2H3,(H,13,14)
InChIKeyGWKILQSALFAJPJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.71
Rot. Bonds3

About N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide

N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide (PubChem CID 87067779) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide
PubChem CID87067779
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide
SMILESCON(C)C(=O)c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C12H13N3O2/c1-15(17-2)12(16)10-5-3-4-9(8-10)11-6-7-13-14-11/h3-8H,1-2H3,(H,13,14)
InChIKeyGWKILQSALFAJPJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide (CID 87067779) is N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide is CON(C)C(=O)c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide?
The InChIKey is GWKILQSALFAJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15(17-2)12(16)10-5-3-4-9(8-10)11-6-7-13-14-11/h3-8H,1-2H3,(H,13,14).
What are the key properties of N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide?
N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide has a molecular weight of 231.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 87067779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).