1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide

C15H17N3O2 — CID 19277357

IUPAC1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(COc2ccccc2C)n1
InChIInChI=1S/C15H17N3O2/c1-3-9-16-15(19)13-8-10-18(17-13)11-20-14-7-5-4-6-12(14)2/h3-8,10H,1,9,11H2,2H3,(H,16,19)
InChIKeyUWEGBXXRBKCSQB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.14
Rot. Bonds6

About 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide

1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 19277357) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID19277357
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(COc2ccccc2C)n1
InChIInChI=1S/C15H17N3O2/c1-3-9-16-15(19)13-8-10-18(17-13)11-20-14-7-5-4-6-12(14)2/h3-8,10H,1,9,11H2,2H3,(H,16,19)
InChIKeyUWEGBXXRBKCSQB-UHFFFAOYSA-N
XLogP2.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2-nitrophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19273956
N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756236
1-[(2-chloro-5-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19275546
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide
CID 19270743
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277385
1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19280166
1-[(2-methylphenoxy)methyl]-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19277551
1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
CID 19262174
1-[(2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19277504
N-(2-cyanophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277503
N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19584803

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide (CID 19277357) is 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide is C=CCNC(=O)c1ccn(COc2ccccc2C)n1.
What is the InChIKey of 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is UWEGBXXRBKCSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-9-16-15(19)13-8-10-18(17-13)11-20-14-7-5-4-6-12(14)2/h3-8,10H,1,9,11H2,2H3,(H,16,19).
What are the key properties of 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide?
1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 19277357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).