N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C16H21N3O2 — CID 75461604

IUPACN-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCCOCCNC(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H21N3O2/c1-4-21-11-10-17-16(20)15-12(2)18-19(13(15)3)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,17,20)
InChIKeyPQXRQTQWNVDZGC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.26
Rot. Bonds6

About N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 75461604) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID75461604
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCCOCCNC(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H21N3O2/c1-4-21-11-10-17-16(20)15-12(2)18-19(13(15)3)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,17,20)
InChIKeyPQXRQTQWNVDZGC-UHFFFAOYSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.26
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

N-[3-(2-methoxyethoxy)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134029697
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
CID 33076349
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
N-[(3,4-diethoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477619
1-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871295
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477748
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477685
N-[2-(2,6-dimethylphenoxy)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55717023
3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 36645347

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 75461604) is N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is CCOCCNC(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is PQXRQTQWNVDZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-11-10-17-16(20)15-12(2)18-19(13(15)3)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,17,20).
What are the key properties of N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 75461604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).