1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one

C16H22N4O2 — CID 94184895

IUPAC1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCc1ccc(-c2[nH]ncc2CN[C@@H](C)CN2CCCC2=O)o1
InChIInChI=1S/C16H22N4O2/c1-11(10-20-7-3-4-15(20)21)17-8-13-9-18-19-16(13)14-6-5-12(2)22-14/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyWSRJFOBGCSWUIU-NSHDSACASA-N
MW302.38 g/mol
LogP2.08
Rot. Bonds6

About 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one

1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 94184895) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
PubChem CID94184895
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCc1ccc(-c2[nH]ncc2CN[C@@H](C)CN2CCCC2=O)o1
InChIInChI=1S/C16H22N4O2/c1-11(10-20-7-3-4-15(20)21)17-8-13-9-18-19-16(13)14-6-5-12(2)22-14/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyWSRJFOBGCSWUIU-NSHDSACASA-N
XLogP2.08
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one (CID 94184895) is 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one is Cc1ccc(-c2[nH]ncc2CN[C@@H](C)CN2CCCC2=O)o1.
What is the InChIKey of 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is WSRJFOBGCSWUIU-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(10-20-7-3-4-15(20)21)17-8-13-9-18-19-16(13)14-6-5-12(2)22-14/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one?
1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 302.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 94184895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).