methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate

C19H18N4O3 — CID 49496908

IUPACmethyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccn(CCc3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-26-19(25)15-7-5-14(6-8-15)18(24)21-17-10-13-23(22-17)12-9-16-4-2-3-11-20-16/h2-8,10-11,13H,9,12H2,1H3,(H,21,22,24)
InChIKeyOCUFFFBTEKBFHU-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.56
Rot. Bonds6

About methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate

methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate (PubChem CID 49496908) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
PubChem CID49496908
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Namemethyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccn(CCc3ccccn3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-26-19(25)15-7-5-14(6-8-15)18(24)21-17-10-13-23(22-17)12-9-16-4-2-3-11-20-16/h2-8,10-11,13H,9,12H2,1H3,(H,21,22,24)
InChIKeyOCUFFFBTEKBFHU-UHFFFAOYSA-N
XLogP2.56
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylphenoxy)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]acetamide
CID 47088292
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
CID 49497172
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 138989642
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
(2R,3S)-2-methyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52537582
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 49497131
(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95141743
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52817236
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate (CID 49496908) is methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccn(CCc3ccccn3)n2)cc1.
What is the InChIKey of methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate?
The InChIKey is OCUFFFBTEKBFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-19(25)15-7-5-14(6-8-15)18(24)21-17-10-13-23(22-17)12-9-16-4-2-3-11-20-16/h2-8,10-11,13H,9,12H2,1H3,(H,21,22,24).
What are the key properties of methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate?
methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate has a molecular weight of 350.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate is sourced from PubChem (CID 49496908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).