1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide

C16H13N5O — CID 5331026

IUPAC1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESCc1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1
InChIInChI=1S/C16H13N5O/c1-9-2-4-10(5-3-9)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8,20H,1H3,(H2,17,22)
InChIKeyJTLVLNWHATXNGO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.31
Rot. Bonds2

About 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide

1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide (PubChem CID 5331026) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
PubChem CID5331026
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESCc1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1
InChIInChI=1S/C16H13N5O/c1-9-2-4-10(5-3-9)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8,20H,1H3,(H2,17,22)
InChIKeyJTLVLNWHATXNGO-UHFFFAOYSA-N
XLogP2.31
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide (CID 5331026) is 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide is Cc1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The InChIKey is JTLVLNWHATXNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-9-2-4-10(5-3-9)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8,20H,1H3,(H2,17,22).
What are the key properties of 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide is sourced from PubChem (CID 5331026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).