(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone

C17H29N5O2 — CID 98322024

IUPAC(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone
SMILESCc1n[nH]c(C)c1[C@H](N)C(=O)N1C[C@]2(C)CN(C)C[C@@](C)(C1)C2O
InChIInChI=1S/C17H29N5O2/c1-10-12(11(2)20-19-10)13(18)14(23)22-8-16(3)6-21(5)7-17(4,9-22)15(16)24/h13,15,24H,6-9,18H2,1-5H3,(H,19,20)/t13-,16-,17-/m0/s1
InChIKeyDGGZISIEXLYEML-JQFCIGGWSA-N
MW335.45 g/mol
LogP0.19
Rot. Bonds2

About (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone

(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone (PubChem CID 98322024) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone
PubChem CID98322024
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone
SMILESCc1n[nH]c(C)c1[C@H](N)C(=O)N1C[C@]2(C)CN(C)C[C@@](C)(C1)C2O
InChIInChI=1S/C17H29N5O2/c1-10-12(11(2)20-19-10)13(18)14(23)22-8-16(3)6-21(5)7-17(4,9-22)15(16)24/h13,15,24H,6-9,18H2,1-5H3,(H,19,20)/t13-,16-,17-/m0/s1
InChIKeyDGGZISIEXLYEML-JQFCIGGWSA-N
XLogP0.19
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone?
The IUPAC name of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone (CID 98322024) is (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone.
What is the SMILES notation for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone?
The canonical SMILES for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone is Cc1n[nH]c(C)c1[C@H](N)C(=O)N1C[C@]2(C)CN(C)C[C@@](C)(C1)C2O.
What is the InChIKey of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone?
The InChIKey is DGGZISIEXLYEML-JQFCIGGWSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-10-12(11(2)20-19-10)13(18)14(23)22-8-16(3)6-21(5)7-17(4,9-22)15(16)24/h13,15,24H,6-9,18H2,1-5H3,(H,19,20)/t13-,16-,17-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone?
(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone has a molecular weight of 335.45 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(1S,5S)-9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone is sourced from PubChem (CID 98322024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).