(1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C14H20N4O — CID 94216463

IUPAC(1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C14H20N4O/c19-14(17-12-6-15-16-7-12)18-8-11-2-9-1-10(3-11)5-13(18)4-9/h6-7,9-11,13H,1-5,8H2,(H,15,16)(H,17,19)/t9-,10+,11?,13?
InChIKeyCZVSLAYRQOKIOW-UYVFGJEYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds1

About (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

(1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 94216463) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound Name(1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID94216463
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C14H20N4O/c19-14(17-12-6-15-16-7-12)18-8-11-2-9-1-10(3-11)5-13(18)4-9/h6-7,9-11,13H,1-5,8H2,(H,15,16)(H,17,19)/t9-,10+,11?,13?
InChIKeyCZVSLAYRQOKIOW-UYVFGJEYSA-N
XLogP2.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 94216463) is (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is O=C(Nc1cn[nH]c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3.
What is the InChIKey of (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is CZVSLAYRQOKIOW-UYVFGJEYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14(17-12-6-15-16-7-12)18-8-11-2-9-1-10(3-11)5-13(18)4-9/h6-7,9-11,13H,1-5,8H2,(H,15,16)(H,17,19)/t9-,10+,11?,13?.
What are the key properties of (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
(1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-N-(1H-pyrazol-4-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 94216463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).