methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate

C15H15N3O2 — CID 71489159

IUPACmethyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate
SMILESCCn1cc(-c2cc(C(=O)OC)[nH]n2)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-3-18-9-11(10-6-4-5-7-14(10)18)12-8-13(17-16-12)15(19)20-2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyINKHICBXNDRPAY-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.84
Rot. Bonds3

About methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate

methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate (PubChem CID 71489159) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate
PubChem CID71489159
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namemethyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate
SMILESCCn1cc(-c2cc(C(=O)OC)[nH]n2)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-3-18-9-11(10-6-4-5-7-14(10)18)12-8-13(17-16-12)15(19)20-2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyINKHICBXNDRPAY-UHFFFAOYSA-N
XLogP2.84
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate (CID 71489159) is methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate is CCn1cc(-c2cc(C(=O)OC)[nH]n2)c2ccccc21.
What is the InChIKey of methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is INKHICBXNDRPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-18-9-11(10-6-4-5-7-14(10)18)12-8-13(17-16-12)15(19)20-2/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate?
methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 71489159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).