(1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide

C13H19ClN4O — CID 167845722

IUPAC(1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
SMILESCCn1cc(Cl)c(NC(=O)C2C[C@@H]3C[C@H](N)[C@@H]3C2)n1
InChIInChI=1S/C13H19ClN4O/c1-2-18-6-10(14)12(17-18)16-13(19)8-3-7-5-11(15)9(7)4-8/h6-9,11H,2-5,15H2,1H3,(H,16,17,19)/t7-,8?,9-,11+/m1/s1
InChIKeyOWXOWGGLJZZWLK-FDJIMLIHSA-N
MW282.78 g/mol
LogP1.87
Rot. Bonds3

About (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide

(1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 167845722) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
PubChem CID167845722
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC Name(1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
SMILESCCn1cc(Cl)c(NC(=O)C2C[C@@H]3C[C@H](N)[C@@H]3C2)n1
InChIInChI=1S/C13H19ClN4O/c1-2-18-6-10(14)12(17-18)16-13(19)8-3-7-5-11(15)9(7)4-8/h6-9,11H,2-5,15H2,1H3,(H,16,17,19)/t7-,8?,9-,11+/m1/s1
InChIKeyOWXOWGGLJZZWLK-FDJIMLIHSA-N
XLogP1.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-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,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide (CID 167845722) is (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide is CCn1cc(Cl)c(NC(=O)C2C[C@@H]3C[C@H](N)[C@@H]3C2)n1.
What is the InChIKey of (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is OWXOWGGLJZZWLK-FDJIMLIHSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-2-18-6-10(14)12(17-18)16-13(19)8-3-7-5-11(15)9(7)4-8/h6-9,11H,2-5,15H2,1H3,(H,16,17,19)/t7-,8?,9-,11+/m1/s1.
What are the key properties of (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide?
(1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 282.78 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-6-amino-N-(4-chloro-1-ethylpyrazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 167845722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).