5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide

C13H14N6O — CID 102803191

IUPAC5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C13H14N6O/c1-7-11(6-19(2)18-7)15-13(20)12-9-5-8(14)3-4-10(9)16-17-12/h3-6H,14H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyFYZNLCTWCIRYBH-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.44
Rot. Bonds2

About 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide

5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 102803191) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID102803191
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C13H14N6O/c1-7-11(6-19(2)18-7)15-13(20)12-9-5-8(14)3-4-10(9)16-17-12/h3-6H,14H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyFYZNLCTWCIRYBH-UHFFFAOYSA-N
XLogP1.44
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 102803191) is 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cc1nn(C)cc1NC(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is FYZNLCTWCIRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-7-11(6-19(2)18-7)15-13(20)12-9-5-8(14)3-4-10(9)16-17-12/h3-6H,14H2,1-2H3,(H,15,20)(H,16,17).
What are the key properties of 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 102803191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).