N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide

C15H16N4O — CID 61258967

IUPACN-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H16N4O/c1-9-14(10(2)19(3)18-9)17-15(20)12-5-4-6-13-11(12)7-8-16-13/h4-8,16H,1-3H3,(H,17,20)
InChIKeyNEGLFTGVTYGXKP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.77
Rot. Bonds2

About N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide

N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide (PubChem CID 61258967) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide
PubChem CID61258967
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C15H16N4O/c1-9-14(10(2)19(3)18-9)17-15(20)12-5-4-6-13-11(12)7-8-16-13/h4-8,16H,1-3H3,(H,17,20)
InChIKeyNEGLFTGVTYGXKP-UHFFFAOYSA-N
XLogP2.77
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide (CID 61258967) is N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide?
The InChIKey is NEGLFTGVTYGXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-14(10(2)19(3)18-9)17-15(20)12-5-4-6-13-11(12)7-8-16-13/h4-8,16H,1-3H3,(H,17,20).
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide?
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 61258967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).