(2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide

C13H18N4O3 — CID 97428281

IUPAC(2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cnn(C3CCOCC3)c2)N1
InChIInChI=1S/C13H18N4O3/c18-12-2-1-11(16-12)13(19)15-9-7-14-17(8-9)10-3-5-20-6-4-10/h7-8,10-11H,1-6H2,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyONMPYYRCPBLIME-NSHDSACASA-N
MW278.31 g/mol
LogP0.45
Rot. Bonds3

About (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 97428281) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID97428281
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name(2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cnn(C3CCOCC3)c2)N1
InChIInChI=1S/C13H18N4O3/c18-12-2-1-11(16-12)13(19)15-9-7-14-17(8-9)10-3-5-20-6-4-10/h7-8,10-11H,1-6H2,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyONMPYYRCPBLIME-NSHDSACASA-N
XLogP0.45
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide (CID 97428281) is (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)Nc2cnn(C3CCOCC3)c2)N1.
What is the InChIKey of (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ONMPYYRCPBLIME-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12-2-1-11(16-12)13(19)15-9-7-14-17(8-9)10-3-5-20-6-4-10/h7-8,10-11H,1-6H2,(H,15,19)(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(oxan-4-yl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 97428281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).