5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one

C16H15N3O — CID 70108725

IUPAC5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one
SMILESCC1=Nc2ccccc2C1=Cc1c(C2CC2)[nH][nH]c1=O
InChIInChI=1S/C16H15N3O/c1-9-12(11-4-2-3-5-14(11)17-9)8-13-15(10-6-7-10)18-19-16(13)20/h2-5,8,10H,6-7H2,1H3,(H2,18,19,20)
InChIKeyUHPPDTLCCWWFGC-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.23
Rot. Bonds2

About 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one

5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 70108725) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one
PubChem CID70108725
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one
SMILESCC1=Nc2ccccc2C1=Cc1c(C2CC2)[nH][nH]c1=O
InChIInChI=1S/C16H15N3O/c1-9-12(11-4-2-3-5-14(11)17-9)8-13-15(10-6-7-10)18-19-16(13)20/h2-5,8,10H,6-7H2,1H3,(H2,18,19,20)
InChIKeyUHPPDTLCCWWFGC-UHFFFAOYSA-N
XLogP3.23
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one (CID 70108725) is 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one is CC1=Nc2ccccc2C1=Cc1c(C2CC2)[nH][nH]c1=O.
What is the InChIKey of 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is UHPPDTLCCWWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-9-12(11-4-2-3-5-14(11)17-9)8-13-15(10-6-7-10)18-19-16(13)20/h2-5,8,10H,6-7H2,1H3,(H2,18,19,20).
What are the key properties of 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one?
5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 265.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[(2-methylindol-3-ylidene)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 70108725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).