N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide

C19H19N3O2 — CID 1223790

IUPACN-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-2-24-18-10-6-9-16(11-18)19(23)21-17-12-20-22(14-17)13-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H,21,23)
InChIKeyVLNVQTMRPSWICN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.58
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide

N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide (PubChem CID 1223790) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide
PubChem CID1223790
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C19H19N3O2/c1-2-24-18-10-6-9-16(11-18)19(23)21-17-12-20-22(14-17)13-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H,21,23)
InChIKeyVLNVQTMRPSWICN-UHFFFAOYSA-N
XLogP3.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide (CID 1223790) is N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide?
The InChIKey is VLNVQTMRPSWICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-24-18-10-6-9-16(11-18)19(23)21-17-12-20-22(14-17)13-15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H,21,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide?
N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-ethoxybenzamide is sourced from PubChem (CID 1223790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).