1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C15H22N4O2 — CID 70722925

IUPAC1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cc(CCCNC(=O)C2CC(=O)N(C3CC3)C2)cn1
InChIInChI=1S/C15H22N4O2/c1-18-9-11(8-17-18)3-2-6-16-15(21)12-7-14(20)19(10-12)13-4-5-13/h8-9,12-13H,2-7,10H2,1H3,(H,16,21)
InChIKeyUJLVGWCMNFTHCE-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.48
Rot. Bonds6

About 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70722925) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70722925
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cc(CCCNC(=O)C2CC(=O)N(C3CC3)C2)cn1
InChIInChI=1S/C15H22N4O2/c1-18-9-11(8-17-18)3-2-6-16-15(21)12-7-14(20)19(10-12)13-4-5-13/h8-9,12-13H,2-7,10H2,1H3,(H,16,21)
InChIKeyUJLVGWCMNFTHCE-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 70722925) is 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is Cn1cc(CCCNC(=O)C2CC(=O)N(C3CC3)C2)cn1.
What is the InChIKey of 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UJLVGWCMNFTHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-9-11(8-17-18)3-2-6-16-15(21)12-7-14(20)19(10-12)13-4-5-13/h8-9,12-13H,2-7,10H2,1H3,(H,16,21).
What are the key properties of 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70722925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).