1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide

C16H16N4O2 — CID 155454559

IUPAC1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCC32CC2)cn1
InChIInChI=1S/C16H16N4O2/c1-20-8-10(7-18-20)14(21)19-11-2-3-13-12(6-11)15(22)17-9-16(13)4-5-16/h2-3,6-8H,4-5,9H2,1H3,(H,17,22)(H,19,21)
InChIKeyXNLCDUUXMWAXMY-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.45
Rot. Bonds2

About 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide

1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide (PubChem CID 155454559) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide
PubChem CID155454559
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCC32CC2)cn1
InChIInChI=1S/C16H16N4O2/c1-20-8-10(7-18-20)14(21)19-11-2-3-13-12(6-11)15(22)17-9-16(13)4-5-16/h2-3,6-8H,4-5,9H2,1H3,(H,17,22)(H,19,21)
InChIKeyXNLCDUUXMWAXMY-UHFFFAOYSA-N
XLogP1.45
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide (CID 155454559) is 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCC32CC2)cn1.
What is the InChIKey of 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide?
The InChIKey is XNLCDUUXMWAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-8-10(7-18-20)14(21)19-11-2-3-13-12(6-11)15(22)17-9-16(13)4-5-16/h2-3,6-8H,4-5,9H2,1H3,(H,17,22)(H,19,21).
What are the key properties of 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide?
1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 155454559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).