N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide

C14H15N3O2 — CID 154880406

IUPACN-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide
SMILESCN(Cc1ccn(-c2ccccc2)n1)C(=O)C1CO1
InChIInChI=1S/C14H15N3O2/c1-16(14(18)13-10-19-13)9-11-7-8-17(15-11)12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3
InChIKeyMDOGYLXVIBTYSV-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.23
Rot. Bonds4

About N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide

N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide (PubChem CID 154880406) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide
PubChem CID154880406
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide
SMILESCN(Cc1ccn(-c2ccccc2)n1)C(=O)C1CO1
InChIInChI=1S/C14H15N3O2/c1-16(14(18)13-10-19-13)9-11-7-8-17(15-11)12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3
InChIKeyMDOGYLXVIBTYSV-UHFFFAOYSA-N
XLogP1.23
TPSA50.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide?
The IUPAC name of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide (CID 154880406) is N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide is CN(Cc1ccn(-c2ccccc2)n1)C(=O)C1CO1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide?
The InChIKey is MDOGYLXVIBTYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16(14(18)13-10-19-13)9-11-7-8-17(15-11)12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3.
What are the key properties of N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide?
N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]oxirane-2-carboxamide is sourced from PubChem (CID 154880406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).