N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide

C17H21N3O2 — CID 71808574

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2cc(C3CC3)n(C)n2)cc1
InChIInChI=1S/C17H21N3O2/c1-3-22-15-8-6-13(7-9-15)17(21)18-11-14-10-16(12-4-5-12)20(2)19-14/h6-10,12H,3-5,11H2,1-2H3,(H,18,21)
InChIKeySCLFEITXEHHNQN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.63
Rot. Bonds6

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide (PubChem CID 71808574) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide
PubChem CID71808574
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2cc(C3CC3)n(C)n2)cc1
InChIInChI=1S/C17H21N3O2/c1-3-22-15-8-6-13(7-9-15)17(21)18-11-14-10-16(12-4-5-12)20(2)19-14/h6-10,12H,3-5,11H2,1-2H3,(H,18,21)
InChIKeySCLFEITXEHHNQN-UHFFFAOYSA-N
XLogP2.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide
CID 71808599
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71808560
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
2-[[(4-ethoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70713260
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121139246
4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
CID 114255745
4-ethoxy-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30859113
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide
CID 71808571
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide (CID 71808574) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCc2cc(C3CC3)n(C)n2)cc1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide?
The InChIKey is SCLFEITXEHHNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-22-15-8-6-13(7-9-15)17(21)18-11-14-10-16(12-4-5-12)20(2)19-14/h6-10,12H,3-5,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide is sourced from PubChem (CID 71808574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).