N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide

C18H30N4O2 — CID 129352789

IUPACN-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccn(C(C)C)n1)C2
InChIInChI=1S/C18H30N4O2/c1-13(2)22-8-7-17(19-22)18(23)20(3)16-11-14-5-6-15(12-16)21(14)9-10-24-4/h7-8,13-16H,5-6,9-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyDGLAVISKNXBXEV-GJZGRUSLSA-N
MW334.46 g/mol
LogP2.18
Rot. Bonds6

About N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide

N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 129352789) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID129352789
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCOCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccn(C(C)C)n1)C2
InChIInChI=1S/C18H30N4O2/c1-13(2)22-8-7-17(19-22)18(23)20(3)16-11-14-5-6-15(12-16)21(14)9-10-24-4/h7-8,13-16H,5-6,9-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyDGLAVISKNXBXEV-GJZGRUSLSA-N
XLogP2.18
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide (CID 129352789) is N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide is COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccn(C(C)C)n1)C2.
What is the InChIKey of N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is DGLAVISKNXBXEV-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)22-8-7-17(19-22)18(23)20(3)16-11-14-5-6-15(12-16)21(14)9-10-24-4/h7-8,13-16H,5-6,9-12H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 129352789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).