N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide

C15H17N3O2 — CID 61003173

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C15H17N3O2/c1-3-8-20-14-7-5-4-6-13(14)15(19)16-9-12-10-17-18-11(12)2/h3-7,10H,1,8-9H2,2H3,(H,16,19)(H,17,18)
InChIKeyFAVFHPLDWDTNOS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.21
Rot. Bonds6

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide (PubChem CID 61003173) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide
PubChem CID61003173
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCc1cn[nH]c1C
InChIInChI=1S/C15H17N3O2/c1-3-8-20-14-7-5-4-6-13(14)15(19)16-9-12-10-17-18-11(12)2/h3-7,10H,1,8-9H2,2H3,(H,16,19)(H,17,18)
InChIKeyFAVFHPLDWDTNOS-UHFFFAOYSA-N
XLogP2.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.21
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

2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 104547624
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)benzamide
CID 62177273
2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736054
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393579
2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81420789
3-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 61004398
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 60767686
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
CID 112836023
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide (CID 61003173) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NCc1cn[nH]c1C.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide?
The InChIKey is FAVFHPLDWDTNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-8-20-14-7-5-4-6-13(14)15(19)16-9-12-10-17-18-11(12)2/h3-7,10H,1,8-9H2,2H3,(H,16,19)(H,17,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 61003173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).