methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate

C18H19N3O3 — CID 122135010

IUPACmethyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C1CC1c1cnn(C)c1
InChIInChI=1S/C18H19N3O3/c1-20-10-13(9-19-20)14-8-15(14)17(22)21-6-5-11-7-12(18(23)24-2)3-4-16(11)21/h3-4,7,9-10,14-15H,5-6,8H2,1-2H3
InChIKeyVDCOMRYWLFJZRM-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.90
Rot. Bonds3

About methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 122135010) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate
PubChem CID122135010
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namemethyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C1CC1c1cnn(C)c1
InChIInChI=1S/C18H19N3O3/c1-20-10-13(9-19-20)14-8-15(14)17(22)21-6-5-11-7-12(18(23)24-2)3-4-16(11)21/h3-4,7,9-10,14-15H,5-6,8H2,1-2H3
InChIKeyVDCOMRYWLFJZRM-UHFFFAOYSA-N
XLogP1.90
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate (CID 122135010) is methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)C1CC1c1cnn(C)c1.
What is the InChIKey of methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is VDCOMRYWLFJZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-20-10-13(9-19-20)14-8-15(14)17(22)21-6-5-11-7-12(18(23)24-2)3-4-16(11)21/h3-4,7,9-10,14-15H,5-6,8H2,1-2H3.
What are the key properties of methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 122135010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).