3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate

C15H20N3O3- — CID 3361329

IUPAC3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESCc1nn(C)cc1CNC(=O)C1C2CCC(C2)C1C(=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-8-11(7-18(2)17-8)6-16-14(19)12-9-3-4-10(5-9)13(12)15(20)21/h7,9-10,12-13H,3-6H2,1-2H3,(H,16,19)(H,20,21)/p-1
InChIKeyWYDAUCJRTJIUBM-UHFFFAOYSA-M
MW290.34 g/mol
LogP-0.24
Rot. Bonds4

About 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate

3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 3361329) has the molecular formula C15H20N3O3- and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID3361329
Molecular FormulaC15H20N3O3-
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESCc1nn(C)cc1CNC(=O)C1C2CCC(C2)C1C(=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-8-11(7-18(2)17-8)6-16-14(19)12-9-3-4-10(5-9)13(12)15(20)21/h7,9-10,12-13H,3-6H2,1-2H3,(H,16,19)(H,20,21)/p-1
InChIKeyWYDAUCJRTJIUBM-UHFFFAOYSA-M
XLogP-0.24
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate 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 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate (CID 3361329) is 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate is Cc1nn(C)cc1CNC(=O)C1C2CCC(C2)C1C(=O)[O-].
What is the InChIKey of 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is WYDAUCJRTJIUBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21N3O3/c1-8-11(7-18(2)17-8)6-16-14(19)12-9-3-4-10(5-9)13(12)15(20)21/h7,9-10,12-13H,3-6H2,1-2H3,(H,16,19)(H,20,21)/p-1.
What are the key properties of 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate?
3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 290.34 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 3361329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).