N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide

C13H12N4O — CID 112521790

IUPACN-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide
SMILESCc1[nH]ncc1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H12N4O/c1-8-12(7-15-17-8)16-13(18)10-2-3-11-9(6-10)4-5-14-11/h2-7,14H,1H3,(H,15,17)(H,16,18)
InChIKeyLQFDVVUKNOAUNF-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.45
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide

N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide (PubChem CID 112521790) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide
PubChem CID112521790
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide
SMILESCc1[nH]ncc1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H12N4O/c1-8-12(7-15-17-8)16-13(18)10-2-3-11-9(6-10)4-5-14-11/h2-7,14H,1H3,(H,15,17)(H,16,18)
InChIKeyLQFDVVUKNOAUNF-UHFFFAOYSA-N
XLogP2.45
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide (CID 112521790) is N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide is Cc1[nH]ncc1NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide?
The InChIKey is LQFDVVUKNOAUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-12(7-15-17-8)16-13(18)10-2-3-11-9(6-10)4-5-14-11/h2-7,14H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide?
N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 112521790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).