N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide

C14H23N5O2 — CID 118788060

IUPACN-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)CCN1C(=O)CCC1CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C14H23N5O2/c1-18(2)7-8-19-12(3-4-13(19)20)5-6-15-14(21)11-9-16-17-10-11/h9-10,12H,3-8H2,1-2H3,(H,15,21)(H,16,17)
InChIKeyJDAXOXXFZUSBHT-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.08
Rot. Bonds7

About N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide

N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 118788060) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID118788060
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)CCN1C(=O)CCC1CCNC(=O)c1cn[nH]c1
InChIInChI=1S/C14H23N5O2/c1-18(2)7-8-19-12(3-4-13(19)20)5-6-15-14(21)11-9-16-17-10-11/h9-10,12H,3-8H2,1-2H3,(H,15,21)(H,16,17)
InChIKeyJDAXOXXFZUSBHT-UHFFFAOYSA-N
XLogP0.08
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide (CID 118788060) is N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide is CN(C)CCN1C(=O)CCC1CCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JDAXOXXFZUSBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18(2)7-8-19-12(3-4-13(19)20)5-6-15-14(21)11-9-16-17-10-11/h9-10,12H,3-8H2,1-2H3,(H,15,21)(H,16,17).
What are the key properties of N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide?
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118788060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).