N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C17H18N4O4 — CID 122149889

IUPACN-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2[nH]ncc2-c2ccc3c(c2)OCO3)CC1=O
InChIInChI=1S/C17H18N4O4/c1-2-21-8-11(6-15(21)22)17(23)19-16-12(7-18-20-16)10-3-4-13-14(5-10)25-9-24-13/h3-5,7,11H,2,6,8-9H2,1H3,(H2,18,19,20,23)
InChIKeyADINGOSUKHORPS-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.61
Rot. Bonds4

About N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 122149889) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID122149889
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2[nH]ncc2-c2ccc3c(c2)OCO3)CC1=O
InChIInChI=1S/C17H18N4O4/c1-2-21-8-11(6-15(21)22)17(23)19-16-12(7-18-20-16)10-3-4-13-14(5-10)25-9-24-13/h3-5,7,11H,2,6,8-9H2,1H3,(H2,18,19,20,23)
InChIKeyADINGOSUKHORPS-UHFFFAOYSA-N
XLogP1.61
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636546
N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119619009
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 154758657
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-2-(cyclopropylmethylamino)acetamide
CID 119806598
1-ethyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 61393728
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-methylfuran-2-carboxamide
CID 75422884
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-5-fluoropyridine-3-carboxamide
CID 122143847
4-(1,3-benzodioxol-5-yl)-N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119075095
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806603
(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95298412
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
(3S)-1-(1,3-benzodioxol-5-yl)-N-(4-methyl-1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 52909078

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 122149889) is N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)Nc2[nH]ncc2-c2ccc3c(c2)OCO3)CC1=O.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ADINGOSUKHORPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-2-21-8-11(6-15(21)22)17(23)19-16-12(7-18-20-16)10-3-4-13-14(5-10)25-9-24-13/h3-5,7,11H,2,6,8-9H2,1H3,(H2,18,19,20,23).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122149889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).