(1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide

C16H26N4O — CID 72880648

IUPAC(1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCCCCn1nc(C)cc1NC(=O)N1C[C@@H]2CCC[C@H]1C2
InChIInChI=1S/C16H26N4O/c1-3-4-8-20-15(9-12(2)18-20)17-16(21)19-11-13-6-5-7-14(19)10-13/h9,13-14H,3-8,10-11H2,1-2H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyXUZFHAZHIWMMBB-KGLIPLIRSA-N
MW290.41 g/mol
LogP3.40
Rot. Bonds4

About (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide

(1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 72880648) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID72880648
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCCCCn1nc(C)cc1NC(=O)N1C[C@@H]2CCC[C@H]1C2
InChIInChI=1S/C16H26N4O/c1-3-4-8-20-15(9-12(2)18-20)17-16(21)19-11-13-6-5-7-14(19)10-13/h9,13-14H,3-8,10-11H2,1-2H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyXUZFHAZHIWMMBB-KGLIPLIRSA-N
XLogP3.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide (CID 72880648) is (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide is CCCCn1nc(C)cc1NC(=O)N1C[C@@H]2CCC[C@H]1C2.
What is the InChIKey of (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is XUZFHAZHIWMMBB-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-4-8-20-15(9-12(2)18-20)17-16(21)19-11-13-6-5-7-14(19)10-13/h9,13-14H,3-8,10-11H2,1-2H3,(H,17,21)/t13-,14+/m1/s1.
What are the key properties of (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
(1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(2-butyl-5-methylpyrazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 72880648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).