N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

C14H17N3O3 — CID 60968183

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cn[nH]c2)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-9(17-14(18)10-7-15-16-8-10)12-5-4-11(19-2)6-13(12)20-3/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyZASGEQQLDOSUJK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.92
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 60968183) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID60968183
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cn[nH]c2)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-9(17-14(18)10-7-15-16-8-10)12-5-4-11(19-2)6-13(12)20-3/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyZASGEQQLDOSUJK-UHFFFAOYSA-N
XLogP1.92
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 134053626
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 134053714
N-[1-(2,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 71897962
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134053802
2,6-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86846897
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 97020856
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 60968183) is N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is COc1ccc(C(C)NC(=O)c2cn[nH]c2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZASGEQQLDOSUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(17-14(18)10-7-15-16-8-10)12-5-4-11(19-2)6-13(12)20-3/h4-9H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60968183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).