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

C19H19N3O — CID 19286300

IUPACN-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O/c1-2-15-8-10-17(11-9-15)19(23)20-18-12-13-22(21-18)14-16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,20,21,23)
InChIKeyTVSPVPNSHHBYLP-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.75
Rot. Bonds5

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

N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide (PubChem CID 19286300) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
PubChem CID19286300
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O/c1-2-15-8-10-17(11-9-15)19(23)20-18-12-13-22(21-18)14-16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,20,21,23)
InChIKeyTVSPVPNSHHBYLP-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 47062558
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19403127
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide (CID 19286300) is N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide?
The InChIKey is TVSPVPNSHHBYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-15-8-10-17(11-9-15)19(23)20-18-12-13-22(21-18)14-16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,20,21,23).
What are the key properties of N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide?
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide is sourced from PubChem (CID 19286300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).