2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide

C13H13N3O2 — CID 61393579

IUPAC2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide
SMILESC=CCOc1ccccc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H13N3O2/c1-2-9-18-11-6-4-3-5-10(11)13(17)15-12-7-8-14-16-12/h2-8H,1,9H2,(H2,14,15,16,17)
InChIKeyMCSPYJHHYUCNQZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.23
Rot. Bonds5

About 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide

2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 61393579) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide
PubChem CID61393579
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide
SMILESC=CCOc1ccccc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H13N3O2/c1-2-9-18-11-6-4-3-5-10(11)13(17)15-12-7-8-14-16-12/h2-8H,1,9H2,(H2,14,15,16,17)
InChIKeyMCSPYJHHYUCNQZ-UHFFFAOYSA-N
XLogP2.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide
CID 61003173
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 43357329
2-(2-phenoxyethoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098022
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
3,5-dichloro-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17133664
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide (CID 61393579) is 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide is C=CCOc1ccccc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is MCSPYJHHYUCNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-9-18-11-6-4-3-5-10(11)13(17)15-12-7-8-14-16-12/h2-8H,1,9H2,(H2,14,15,16,17).
What are the key properties of 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide?
2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 243.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 61393579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).