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

C20H20N4O3 — CID 138989642

IUPACethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-27-20(26)17-5-3-16(4-6-17)19(25)22-18-10-14-24(23-18)13-9-15-7-11-21-12-8-15/h3-8,10-12,14H,2,9,13H2,1H3,(H,22,23,25)
InChIKeyIEDTTWZCUPNQIF-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.95
Rot. Bonds7

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

ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate (PubChem CID 138989642) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
PubChem CID138989642
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-27-20(26)17-5-3-16(4-6-17)19(25)22-18-10-14-24(23-18)13-9-15-7-11-21-12-8-15/h3-8,10-12,14H,2,9,13H2,1H3,(H,22,23,25)
InChIKeyIEDTTWZCUPNQIF-UHFFFAOYSA-N
XLogP2.95
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 49496908
4-bromo-5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 56561605
4-methylbenzoic acid;4-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163685789
ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 5303395
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119871314
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 47091413
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119871312
2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111332045
2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 138989638
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate?
The IUPAC name of ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate (CID 138989642) is ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate?
The canonical SMILES for ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate is CCOC(=O)c1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cc1.
What is the InChIKey of ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate?
The InChIKey is IEDTTWZCUPNQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-27-20(26)17-5-3-16(4-6-17)19(25)22-18-10-14-24(23-18)13-9-15-7-11-21-12-8-15/h3-8,10-12,14H,2,9,13H2,1H3,(H,22,23,25).
What are the key properties of ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate?
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate has a molecular weight of 364.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate is sourced from PubChem (CID 138989642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).