3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C15H23ClN4O — CID 119787793

IUPAC3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C15H22N4O.ClH/c16-13-9-5-4-8(6-9)12(13)15(20)18-11-3-1-2-10-7-17-19-14(10)11;/h7-9,11-13H,1-6,16H2,(H,17,19)(H,18,20);1H
InChIKeyOGQZZDPIFSSZCL-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.70
Rot. Bonds2

About 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119787793) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119787793
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C15H22N4O.ClH/c16-13-9-5-4-8(6-9)12(13)15(20)18-11-3-1-2-10-7-17-19-14(10)11;/h7-9,11-13H,1-6,16H2,(H,17,19)(H,18,20);1H
InChIKeyOGQZZDPIFSSZCL-UHFFFAOYSA-N
XLogP1.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119787793) is 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NC1CCCc2cn[nH]c21.
What is the InChIKey of 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is OGQZZDPIFSSZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.ClH/c16-13-9-5-4-8(6-9)12(13)15(20)18-11-3-1-2-10-7-17-19-14(10)11;/h7-9,11-13H,1-6,16H2,(H,17,19)(H,18,20);1H.
What are the key properties of 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119787793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).