1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide

C13H12N4O — CID 137442901

IUPAC1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H12N4O/c1-8-6-12(13(14)18)16-17(8)10-2-3-11-9(7-10)4-5-15-11/h2-7,15H,1H3,(H2,14,18)
InChIKeyFMCUTLCZULRARF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.76
Rot. Bonds2

About 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide

1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 137442901) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide
PubChem CID137442901
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H12N4O/c1-8-6-12(13(14)18)16-17(8)10-2-3-11-9(7-10)4-5-15-11/h2-7,15H,1H3,(H2,14,18)
InChIKeyFMCUTLCZULRARF-UHFFFAOYSA-N
XLogP1.76
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide (CID 137442901) is 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(N)=O)nn1-c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is FMCUTLCZULRARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-6-12(13(14)18)16-17(8)10-2-3-11-9(7-10)4-5-15-11/h2-7,15H,1H3,(H2,14,18).
What are the key properties of 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide?
1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 137442901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).