N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide

C16H21N3O2 — CID 42879366

IUPACN,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccccc2OC)nn1CC
InChIInChI=1S/C16H21N3O2/c1-5-18(3)16(20)14-11-13(17-19(14)6-2)12-9-7-8-10-15(12)21-4/h7-11H,5-6H2,1-4H3
InChIKeyYDGMYYBWSRPODQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds5

About N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide

N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide (PubChem CID 42879366) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
PubChem CID42879366
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccccc2OC)nn1CC
InChIInChI=1S/C16H21N3O2/c1-5-18(3)16(20)14-11-13(17-19(14)6-2)12-9-7-8-10-15(12)21-4/h7-11H,5-6H2,1-4H3
InChIKeyYDGMYYBWSRPODQ-UHFFFAOYSA-N
XLogP2.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carboxamide
CID 42879358
1-ethyl-3-(2-methoxyphenyl)-N-pyridin-3-ylpyrazole-5-carboxamide
CID 42879359
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
ethyl 1-[1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 46105384
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90552002
1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid
CID 82306859
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
CID 90549371
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
CID 67143292
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90575671

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide?
The IUPAC name of N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide (CID 42879366) is N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide?
The canonical SMILES for N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide is CCN(C)C(=O)c1cc(-c2ccccc2OC)nn1CC.
What is the InChIKey of N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide?
The InChIKey is YDGMYYBWSRPODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-18(3)16(20)14-11-13(17-19(14)6-2)12-9-7-8-10-15(12)21-4/h7-11H,5-6H2,1-4H3.
What are the key properties of N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide?
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 42879366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).