N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

C16H21N3O2 — CID 110336301

IUPACN,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)n(C)n1
InChIInChI=1S/C16H21N3O2/c1-5-19(6-2)16(20)14-11-15(18(3)17-14)12-7-9-13(21-4)10-8-12/h7-11H,5-6H2,1-4H3
InChIKeyMEENWSATIHFDME-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds5

About N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110336301) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110336301
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)n(C)n1
InChIInChI=1S/C16H21N3O2/c1-5-19(6-2)16(20)14-11-15(18(3)17-14)12-7-9-13(21-4)10-8-12/h7-11H,5-6H2,1-4H3
InChIKeyMEENWSATIHFDME-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 110336255
N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336165
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-5-(4-methoxyphenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 110165047
1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82479288
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110302080
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 110336301) is N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is CCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)n(C)n1.
What is the InChIKey of N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is MEENWSATIHFDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-19(6-2)16(20)14-11-15(18(3)17-14)12-7-9-13(21-4)10-8-12/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).