N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C14H22N4O2 — CID 74242621

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1cc(CNC(=O)CCCN2CCCC2=O)n(C)n1
InChIInChI=1S/C14H22N4O2/c1-11-9-12(17(2)16-11)10-15-13(19)5-3-7-18-8-4-6-14(18)20/h9H,3-8,10H2,1-2H3,(H,15,19)
InChIKeyAXUKHLMLDFQQRO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.75
Rot. Bonds6

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 74242621) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID74242621
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1cc(CNC(=O)CCCN2CCCC2=O)n(C)n1
InChIInChI=1S/C14H22N4O2/c1-11-9-12(17(2)16-11)10-15-13(19)5-3-7-18-8-4-6-14(18)20/h9H,3-8,10H2,1-2H3,(H,15,19)
InChIKeyAXUKHLMLDFQQRO-UHFFFAOYSA-N
XLogP0.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 74242621) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1cc(CNC(=O)CCCN2CCCC2=O)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is AXUKHLMLDFQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-9-12(17(2)16-11)10-15-13(19)5-3-7-18-8-4-6-14(18)20/h9H,3-8,10H2,1-2H3,(H,15,19).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 278.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 74242621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).