1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide

C18H25N3O2 — CID 78872514

IUPAC1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(Cc2ccccc2)c1CC
InChIInChI=1S/C18H25N3O2/c1-3-17-16(18(22)19-11-8-12-23-4-2)13-20-21(17)14-15-9-6-5-7-10-15/h5-7,9-10,13H,3-4,8,11-12,14H2,1-2H3,(H,19,22)
InChIKeyFGWUVXGSJHPYNK-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.65
Rot. Bonds9

About 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide

1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide (PubChem CID 78872514) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
PubChem CID78872514
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(Cc2ccccc2)c1CC
InChIInChI=1S/C18H25N3O2/c1-3-17-16(18(22)19-11-8-12-23-4-2)13-20-21(17)14-15-9-6-5-7-10-15/h5-7,9-10,13H,3-4,8,11-12,14H2,1-2H3,(H,19,22)
InChIKeyFGWUVXGSJHPYNK-UHFFFAOYSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 78872899
1-benzyl-N-[[4-(ethoxymethyl)phenyl]methyl]-5-ethylpyrazole-4-carboxamide
CID 78872826
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
CID 78892567
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31889145
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557582
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide (CID 78872514) is 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide is CCOCCCNC(=O)c1cnn(Cc2ccccc2)c1CC.
What is the InChIKey of 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is FGWUVXGSJHPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-17-16(18(22)19-11-8-12-23-4-2)13-20-21(17)14-15-9-6-5-7-10-15/h5-7,9-10,13H,3-4,8,11-12,14H2,1-2H3,(H,19,22).
What are the key properties of 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide?
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78872514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).