(1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C18H29N5O2 — CID 72875876

IUPAC(1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)c1C
InChIInChI=1S/C18H29N5O2/c1-12-13(2)19-20-16(12)7-8-17(24)23-10-14-5-6-15(23)11-22(9-14)18(25)21(3)4/h14-15H,5-11H2,1-4H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyKSQWGONNGBXMGT-LSDHHAIUSA-N
MW347.46 g/mol
LogP1.56
Rot. Bonds3

About (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 72875876) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID72875876
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)c1C
InChIInChI=1S/C18H29N5O2/c1-12-13(2)19-20-16(12)7-8-17(24)23-10-14-5-6-15(23)11-22(9-14)18(25)21(3)4/h14-15H,5-11H2,1-4H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyKSQWGONNGBXMGT-LSDHHAIUSA-N
XLogP1.56
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 72875876) is (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)c1C.
What is the InChIKey of (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is KSQWGONNGBXMGT-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12-13(2)19-20-16(12)7-8-17(24)23-10-14-5-6-15(23)11-22(9-14)18(25)21(3)4/h14-15H,5-11H2,1-4H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 72875876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).