N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide

C13H12N4O — CID 110471413

IUPACN-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C13H12N4O/c1-17-8-10(7-15-17)13(18)16-11-2-3-12-9(6-11)4-5-14-12/h2-8,14H,1H3,(H,16,18)
InChIKeyLEBVWOGLJGHUSS-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.15
Rot. Bonds2

About N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide

N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 110471413) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide
PubChem CID110471413
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3[nH]ccc3c2)cn1
InChIInChI=1S/C13H12N4O/c1-17-8-10(7-15-17)13(18)16-11-2-3-12-9(6-11)4-5-14-12/h2-8,14H,1H3,(H,16,18)
InChIKeyLEBVWOGLJGHUSS-UHFFFAOYSA-N
XLogP2.15
TPSA62.71 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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3,5-dichloro-N-(1H-indol-5-yl)benzamide
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N-(1H-indol-5-yl)imidazo[1,5-a]pyridine-7-carboxamide
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N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
N-(1H-indol-5-yl)pyrazine-2-carboxamide
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N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
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1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
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N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
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6-chloro-N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 103186986
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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide (CID 110471413) is N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc3[nH]ccc3c2)cn1.
What is the InChIKey of N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is LEBVWOGLJGHUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-17-8-10(7-15-17)13(18)16-11-2-3-12-9(6-11)4-5-14-12/h2-8,14H,1H3,(H,16,18).
What are the key properties of N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide?
N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 110471413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).