2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

C17H19N5O — CID 19475276

IUPAC2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cnn(Cc2ccccc2C)c1
InChIInChI=1S/C17H19N5O/c1-3-22-16(8-9-18-22)17(23)20-15-10-19-21(12-15)11-14-7-5-4-6-13(14)2/h4-10,12H,3,11H2,1-2H3,(H,20,23)
InChIKeyLFWMALLINJHHIL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds5

About 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19475276) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19475276
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cnn(Cc2ccccc2C)c1
InChIInChI=1S/C17H19N5O/c1-3-22-16(8-9-18-22)17(23)20-15-10-19-21(12-15)11-14-7-5-4-6-13(14)2/h4-10,12H,3,11H2,1-2H3,(H,20,23)
InChIKeyLFWMALLINJHHIL-UHFFFAOYSA-N
XLogP2.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475757
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
CID 19475516
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416861
1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethanone
CID 63974223
2-(1-adamantyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19346302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19475276) is 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cnn(Cc2ccccc2C)c1.
What is the InChIKey of 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is LFWMALLINJHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-22-16(8-9-18-22)17(23)20-15-10-19-21(12-15)11-14-7-5-4-6-13(14)2/h4-10,12H,3,11H2,1-2H3,(H,20,23).
What are the key properties of 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19475276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).