(1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate

C15H15N3O2 — CID 154467719

IUPAC(1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate
SMILESCc1nn(C)c(C)c1OC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O2/c1-9-14(10(2)18(3)17-9)20-15(19)13-8-11-6-4-5-7-12(11)16-13/h4-8,16H,1-3H3
InChIKeyQBXOFPYPKQBYJL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.74
Rot. Bonds2

About (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate

(1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate (PubChem CID 154467719) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate.

Molecular Properties

Compound Name(1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate
PubChem CID154467719
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate
SMILESCc1nn(C)c(C)c1OC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O2/c1-9-14(10(2)18(3)17-9)20-15(19)13-8-11-6-4-5-7-12(11)16-13/h4-8,16H,1-3H3
InChIKeyQBXOFPYPKQBYJL-UHFFFAOYSA-N
XLogP2.74
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1H-indole-2-carboxylate
CID 47009903
(3,5-dimethylphenyl) 1H-indole-2-carboxylate
CID 150748218
chloro 1H-indole-2-carboxylate
CID 68813525
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471254
(4-acetamidophenyl) 1H-indole-2-carboxylate
CID 51152616
ethane;1H-indole-2-carboxylic acid
CID 91052830
3-(1H-indole-2-carbonyloxy)benzoic acid
CID 71564706
butyl 1H-indole-2-carboxylate
CID 54052397
(4-nitrophenyl) 1H-indole-2-carboxylate
CID 19897924
2-(1H-indole-2-carbonyl)-5-methyl-4H-pyrazol-3-one
CID 131876108
1H-indole-2-carbothioic S-acid
CID 4713092

Frequently Asked Questions

What is the IUPAC name of (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate?
The IUPAC name of (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate (CID 154467719) is (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate.
What is the SMILES notation for (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate?
The canonical SMILES for (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate is Cc1nn(C)c(C)c1OC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate?
The InChIKey is QBXOFPYPKQBYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-14(10(2)18(3)17-9)20-15(19)13-8-11-6-4-5-7-12(11)16-13/h4-8,16H,1-3H3.
What are the key properties of (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate?
(1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate is sourced from PubChem (CID 154467719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).