1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one

C16H28N4O — CID 95587808

IUPAC1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one
SMILESC[C@H](CNCc1cn[nH]c1C(C)(C)C)CN1CCCC1=O
InChIInChI=1S/C16H28N4O/c1-12(11-20-7-5-6-14(20)21)8-17-9-13-10-18-19-15(13)16(2,3)4/h10,12,17H,5-9,11H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyQSEYBTCOJWXFCC-GFCCVEGCSA-N
MW292.43 g/mol
LogP2.06
Rot. Bonds6

About 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one

1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one (PubChem CID 95587808) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one
PubChem CID95587808
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one
SMILESC[C@H](CNCc1cn[nH]c1C(C)(C)C)CN1CCCC1=O
InChIInChI=1S/C16H28N4O/c1-12(11-20-7-5-6-14(20)21)8-17-9-13-10-18-19-15(13)16(2,3)4/h10,12,17H,5-9,11H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyQSEYBTCOJWXFCC-GFCCVEGCSA-N
XLogP2.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one (CID 95587808) is 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one is C[C@H](CNCc1cn[nH]c1C(C)(C)C)CN1CCCC1=O.
What is the InChIKey of 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one?
The InChIKey is QSEYBTCOJWXFCC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(11-20-7-5-6-14(20)21)8-17-9-13-10-18-19-15(13)16(2,3)4/h10,12,17H,5-9,11H2,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one?
1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one has a molecular weight of 292.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-2-methylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 95587808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).