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

C16H15N5O — CID 135403034

IUPAC1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)c1
InChIInChI=1S/C16H15N5O/c1-9-3-2-4-10(7-9)21-15-11(14(20-21)16(17)22)5-6-13-12(15)8-18-19-13/h2-4,7-8H,5-6H2,1H3,(H2,17,22)(H,18,19)
InChIKeyWYZJNWDUVFKVRN-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.77
Rot. Bonds2

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

1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (PubChem CID 135403034) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
PubChem CID135403034
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)c1
InChIInChI=1S/C16H15N5O/c1-9-3-2-4-10(7-9)21-15-11(14(20-21)16(17)22)5-6-13-12(15)8-18-19-13/h2-4,7-8H,5-6H2,1H3,(H2,17,22)(H,18,19)
InChIKeyWYZJNWDUVFKVRN-UHFFFAOYSA-N
XLogP1.77
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide (CID 135403034) is 1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is Cc1cccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)c1.
What is the InChIKey of 1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
The InChIKey is WYZJNWDUVFKVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-9-3-2-4-10(7-9)21-15-11(14(20-21)16(17)22)5-6-13-12(15)8-18-19-13/h2-4,7-8H,5-6H2,1H3,(H2,17,22)(H,18,19).
What are the key properties of 1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide?
1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carboxamide is sourced from PubChem (CID 135403034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).