5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]

C18H23N3 — CID 121382786

IUPAC5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]
SMILESCC(C)N1CC2(CCC2)c2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C18H23N3/c1-13(2)21-12-18(7-4-8-18)16-9-14(5-6-17(16)21)15-10-19-20(3)11-15/h5-6,9-11,13H,4,7-8,12H2,1-3H3
InChIKeyPJMOUFAPMJYRGK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.74
Rot. Bonds2

About 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]

5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane] (PubChem CID 121382786) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane].

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]
PubChem CID121382786
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]
SMILESCC(C)N1CC2(CCC2)c2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C18H23N3/c1-13(2)21-12-18(7-4-8-18)16-9-14(5-6-17(16)21)15-10-19-20(3)11-15/h5-6,9-11,13H,4,7-8,12H2,1-3H3
InChIKeyPJMOUFAPMJYRGK-UHFFFAOYSA-N
XLogP3.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane] with MolForge

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Related Compounds

(3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382706
6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382684
(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382739
2-[(3S)-5-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindol-3-yl]acetonitrile
CID 121382703
3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157423852
1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole
CID 134164543
1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398312
1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 177122967
3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole
CID 121365287
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 145058420
(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 139398709
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane] (CID 121382786) is 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane].
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane] is CC(C)N1CC2(CCC2)c2cc(-c3cnn(C)c3)ccc21.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]?
The InChIKey is PJMOUFAPMJYRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13(2)21-12-18(7-4-8-18)16-9-14(5-6-17(16)21)15-10-19-20(3)11-15/h5-6,9-11,13H,4,7-8,12H2,1-3H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane]?
5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane] has a molecular weight of 281.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-1-propan-2-ylspiro[2H-indole-3,1'-cyclobutane] is sourced from PubChem (CID 121382786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).