5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine

C12H22N4 — CID 164559706

IUPAC5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine
SMILESCN1CC[C@H](n2nc(N)cc2C(C)(C)C)C1
InChIInChI=1S/C12H22N4/c1-12(2,3)10-7-11(13)14-16(10)9-5-6-15(4)8-9/h7,9H,5-6,8H2,1-4H3,(H2,13,14)/t9-/m0/s1
InChIKeyVXDIHVAVSIXZHJ-VIFPVBQESA-N
MW222.34 g/mol
LogP1.64
Rot. Bonds1

About 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine

5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine (PubChem CID 164559706) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine
PubChem CID164559706
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine
SMILESCN1CC[C@H](n2nc(N)cc2C(C)(C)C)C1
InChIInChI=1S/C12H22N4/c1-12(2,3)10-7-11(13)14-16(10)9-5-6-15(4)8-9/h7,9H,5-6,8H2,1-4H3,(H2,13,14)/t9-/m0/s1
InChIKeyVXDIHVAVSIXZHJ-VIFPVBQESA-N
XLogP1.64
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine (CID 164559706) is 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine is CN1CC[C@H](n2nc(N)cc2C(C)(C)C)C1.
What is the InChIKey of 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine?
The InChIKey is VXDIHVAVSIXZHJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,3)10-7-11(13)14-16(10)9-5-6-15(4)8-9/h7,9H,5-6,8H2,1-4H3,(H2,13,14)/t9-/m0/s1.
What are the key properties of 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine?
5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine is sourced from PubChem (CID 164559706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).