(4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine

C11H19N3 — CID 166660885

IUPAC(4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine
SMILESCN[C@H]1C[C@@H](C(C)(C)C)n2nccc21
InChIInChI=1S/C11H19N3/c1-11(2,3)10-7-8(12-4)9-5-6-13-14(9)10/h5-6,8,10,12H,7H2,1-4H3/t8-,10-/m0/s1
InChIKeyCQQJYPXQMINCAI-WPRPVWTQSA-N
MW193.29 g/mol
LogP2.13
Rot. Bonds1

About (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine

(4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine (PubChem CID 166660885) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine.

Molecular Properties

Compound Name(4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine
PubChem CID166660885
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine
SMILESCN[C@H]1C[C@@H](C(C)(C)C)n2nccc21
InChIInChI=1S/C11H19N3/c1-11(2,3)10-7-8(12-4)9-5-6-13-14(9)10/h5-6,8,10,12H,7H2,1-4H3/t8-,10-/m0/s1
InChIKeyCQQJYPXQMINCAI-WPRPVWTQSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine with MolForge

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Related Compounds

1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
CID 82417224
1,3-dimethyl-5-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248066
1-(1-methyl-1H-pyrazol-5-yl)propan-1-amine
CID 45791146
3-(1-methyl-1H-pyrazol-5-yl)cyclopentan-1-amine
CID 64504110
1-methyl-5-{[(2R)-pyrrolidin-2-yl]methyl}-1H-pyrazole
CID 96737048
rac-methyl((((2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl)methyl))amine
CID 119031225
1-methyl-5-(pyrrolidin-2-yl)-1H-pyrazole dihydrochloride
CID 132300798
1-(1-methyl-1H-pyrazol-3-yl)-2-azabicyclo[2.1.1]hexane
CID 137942693
1-(1-methyl-1H-pyrazol-5-yl)-2-azabicyclo[2.1.1]hexane
CID 138040549
1-methyl-3-(pyrrolidin-2-yl)-1H-pyrazole hydrochloride
CID 145874569
1-methyl-5-(pyrrolidin-3-yl)-1H-pyrazole hydrochloride
CID 154832826

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine?
The IUPAC name of (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine (CID 166660885) is (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine.
What is the SMILES notation for (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine?
The canonical SMILES for (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine is CN[C@H]1C[C@@H](C(C)(C)C)n2nccc21.
What is the InChIKey of (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine?
The InChIKey is CQQJYPXQMINCAI-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)10-7-8(12-4)9-5-6-13-14(9)10/h5-6,8,10,12H,7H2,1-4H3/t8-,10-/m0/s1.
What are the key properties of (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine?
(4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine has a molecular weight of 193.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-tert-butyl-N-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-amine is sourced from PubChem (CID 166660885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).