N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide

C13H16N4O — CID 47368465

IUPACN-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C13H16N4O/c1-17-7-6-9(8-17)14-13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9H,6-8H2,1H3,(H,14,18)(H,15,16)
InChIKeyIRPALRHUXNHJRC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.00
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide

N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide (PubChem CID 47368465) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide
PubChem CID47368465
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C13H16N4O/c1-17-7-6-9(8-17)14-13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9H,6-8H2,1H3,(H,14,18)(H,15,16)
InChIKeyIRPALRHUXNHJRC-UHFFFAOYSA-N
XLogP1.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide (CID 47368465) is N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is IRPALRHUXNHJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-7-6-9(8-17)14-13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9H,6-8H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide?
N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 47368465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).