1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

C15H12ClN5O — CID 135403027

IUPAC1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C15H12ClN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-4,7H,5-6H2,(H2,17,22)(H,18,19)
InChIKeyPUIIOZKFJGRCIW-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.11
Rot. Bonds2

About 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide

1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403027) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403027
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1[nH]ncc1-2
InChIInChI=1S/C15H12ClN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-4,7H,5-6H2,(H2,17,22)(H,18,19)
InChIKeyPUIIOZKFJGRCIW-UHFFFAOYSA-N
XLogP2.11
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403027) is 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1[nH]ncc1-2.
What is the InChIKey of 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is PUIIOZKFJGRCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-4,7H,5-6H2,(H2,17,22)(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 313.75 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).