N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide

C15H23N5O2 — CID 71932826

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
SMILESO=C(CN1CC(n2cccn2)C1)NCCCN1CCCC1=O
InChIInChI=1S/C15H23N5O2/c21-14(16-5-2-8-19-7-1-4-15(19)22)12-18-10-13(11-18)20-9-3-6-17-20/h3,6,9,13H,1-2,4-5,7-8,10-12H2,(H,16,21)
InChIKeyVHAULCPFGOBYQI-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.13
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide (PubChem CID 71932826) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
PubChem CID71932826
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
SMILESO=C(CN1CC(n2cccn2)C1)NCCCN1CCCC1=O
InChIInChI=1S/C15H23N5O2/c21-14(16-5-2-8-19-7-1-4-15(19)22)12-18-10-13(11-18)20-9-3-6-17-20/h3,6,9,13H,1-2,4-5,7-8,10-12H2,(H,16,21)
InChIKeyVHAULCPFGOBYQI-UHFFFAOYSA-N
XLogP-0.13
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-1H-pyrazol-1-yl)pyrrolidin-2-one
CID 137698641
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CID 53556864
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53590070
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53608123
1-[3-[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 53614569
N-(oxan-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53619702
2-(Diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779303
2-[Cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56780185
1-[2-[2-(Pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 56780341
N-(2-cyanoethyl)-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
CID 56781223
3-[(1-Methylpyrazol-3-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 71981220
1-[2-(1H-pyrazol-1-yl)butanoyl]-4-(1-pyrrolidinylsulfonyl)piperazine
CID 72848912

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide (CID 71932826) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide is O=C(CN1CC(n2cccn2)C1)NCCCN1CCCC1=O.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide?
The InChIKey is VHAULCPFGOBYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-14(16-5-2-8-19-7-1-4-15(19)22)12-18-10-13(11-18)20-9-3-6-17-20/h3,6,9,13H,1-2,4-5,7-8,10-12H2,(H,16,21).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide is sourced from PubChem (CID 71932826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).