4-methyl-1H-indazole-3-carboxamide

C9H9N3O — CID 67513423

IUPAC4-methyl-1H-indazole-3-carboxamide
SMILESCc1cccc2[nH]nc(C(N)=O)c12
InChIInChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)8(9(10)13)12-11-6/h2-4H,1H3,(H2,10,13)(H,11,12)
InChIKeyKQDSGHVSQHNBPM-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.97
Rot. Bonds1

About 4-methyl-1H-indazole-3-carboxamide

4-methyl-1H-indazole-3-carboxamide (PubChem CID 67513423) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1H-indazole-3-carboxamide
PubChem CID67513423
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-methyl-1H-indazole-3-carboxamide
SMILESCc1cccc2[nH]nc(C(N)=O)c12
InChIInChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)8(9(10)13)12-11-6/h2-4H,1H3,(H2,10,13)(H,11,12)
InChIKeyKQDSGHVSQHNBPM-UHFFFAOYSA-N
XLogP0.97
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 4-methyl-1H-indazole-3-carboxamide (CID 67513423) is 4-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 4-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 4-methyl-1H-indazole-3-carboxamide is Cc1cccc2[nH]nc(C(N)=O)c12.
What is the InChIKey of 4-methyl-1H-indazole-3-carboxamide?
The InChIKey is KQDSGHVSQHNBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)8(9(10)13)12-11-6/h2-4H,1H3,(H2,10,13)(H,11,12).
What are the key properties of 4-methyl-1H-indazole-3-carboxamide?
4-methyl-1H-indazole-3-carboxamide has a molecular weight of 175.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 67513423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).