N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide

C16H21N3O2 — CID 5309119

IUPACN-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1cc(C)nn1-c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-3-21-11-7-10-17-16(20)15-12-13(2)18-19(15)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,20)
InChIKeyMAQJFSNRDVDJRR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.34
Rot. Bonds7

About N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide

N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 5309119) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID5309119
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1cc(C)nn1-c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-3-21-11-7-10-17-16(20)15-12-13(2)18-19(15)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,20)
InChIKeyMAQJFSNRDVDJRR-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.34
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

3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 9406513
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861310
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
3-cyclopropyl-1-phenyl-N-(3-phenylmethoxypropyl)pyrazole-5-carboxamide
CID 41365797
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685989
N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862190
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830947
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide (CID 5309119) is N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide is CCOCCCNC(=O)c1cc(C)nn1-c1ccccc1.
What is the InChIKey of N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is MAQJFSNRDVDJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-21-11-7-10-17-16(20)15-12-13(2)18-19(15)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5309119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).