N-(3-formamidopropyl)-1H-indazole-4-carboxamide

C12H14N4O2 — CID 110468696

IUPACN-(3-formamidopropyl)-1H-indazole-4-carboxamide
SMILESO=CNCCCNC(=O)c1cccc2[nH]ncc12
InChIInChI=1S/C12H14N4O2/c17-8-13-5-2-6-14-12(18)9-3-1-4-11-10(9)7-15-16-11/h1,3-4,7-8H,2,5-6H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyKKQXSORYTGVWNN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.43
Rot. Bonds6

About N-(3-formamidopropyl)-1H-indazole-4-carboxamide

N-(3-formamidopropyl)-1H-indazole-4-carboxamide (PubChem CID 110468696) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3-formamidopropyl)-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-1H-indazole-4-carboxamide
PubChem CID110468696
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(3-formamidopropyl)-1H-indazole-4-carboxamide
SMILESO=CNCCCNC(=O)c1cccc2[nH]ncc12
InChIInChI=1S/C12H14N4O2/c17-8-13-5-2-6-14-12(18)9-3-1-4-11-10(9)7-15-16-11/h1,3-4,7-8H,2,5-6H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyKKQXSORYTGVWNN-UHFFFAOYSA-N
XLogP0.43
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-1H-indazole-4-carboxamide?
The IUPAC name of N-(3-formamidopropyl)-1H-indazole-4-carboxamide (CID 110468696) is N-(3-formamidopropyl)-1H-indazole-4-carboxamide.
What is the SMILES notation for N-(3-formamidopropyl)-1H-indazole-4-carboxamide?
The canonical SMILES for N-(3-formamidopropyl)-1H-indazole-4-carboxamide is O=CNCCCNC(=O)c1cccc2[nH]ncc12.
What is the InChIKey of N-(3-formamidopropyl)-1H-indazole-4-carboxamide?
The InChIKey is KKQXSORYTGVWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-8-13-5-2-6-14-12(18)9-3-1-4-11-10(9)7-15-16-11/h1,3-4,7-8H,2,5-6H2,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of N-(3-formamidopropyl)-1H-indazole-4-carboxamide?
N-(3-formamidopropyl)-1H-indazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-1H-indazole-4-carboxamide is sourced from PubChem (CID 110468696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).