3-amino-N-phenyl-1H-indazole-5-carboxamide

C14H12N4O — CID 155539537

IUPAC3-amino-N-phenyl-1H-indazole-5-carboxamide
SMILESNc1n[nH]c2ccc(C(=O)Nc3ccccc3)cc12
InChIInChI=1S/C14H12N4O/c15-13-11-8-9(6-7-12(11)17-18-13)14(19)16-10-4-2-1-3-5-10/h1-8H,(H,16,19)(H3,15,17,18)
InChIKeyMJYTUKNGNNQAAF-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-N-phenyl-1H-indazole-5-carboxamide

3-amino-N-phenyl-1H-indazole-5-carboxamide (PubChem CID 155539537) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-N-phenyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-1H-indazole-5-carboxamide
PubChem CID155539537
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-amino-N-phenyl-1H-indazole-5-carboxamide
SMILESNc1n[nH]c2ccc(C(=O)Nc3ccccc3)cc12
InChIInChI=1S/C14H12N4O/c15-13-11-8-9(6-7-12(11)17-18-13)14(19)16-10-4-2-1-3-5-10/h1-8H,(H,16,19)(H3,15,17,18)
InChIKeyMJYTUKNGNNQAAF-UHFFFAOYSA-N
XLogP2.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-1H-indazole-5-carboxamide?
The IUPAC name of 3-amino-N-phenyl-1H-indazole-5-carboxamide (CID 155539537) is 3-amino-N-phenyl-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-1H-indazole-5-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-1H-indazole-5-carboxamide is Nc1n[nH]c2ccc(C(=O)Nc3ccccc3)cc12.
What is the InChIKey of 3-amino-N-phenyl-1H-indazole-5-carboxamide?
The InChIKey is MJYTUKNGNNQAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-13-11-8-9(6-7-12(11)17-18-13)14(19)16-10-4-2-1-3-5-10/h1-8H,(H,16,19)(H3,15,17,18).
What are the key properties of 3-amino-N-phenyl-1H-indazole-5-carboxamide?
3-amino-N-phenyl-1H-indazole-5-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 155539537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).