N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C16H19N3 — CID 122463401

IUPACN-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESCn1cc(CNC2CC23CCc2ccccc23)cn1
InChIInChI=1S/C16H19N3/c1-19-11-12(10-18-19)9-17-15-8-16(15)7-6-13-4-2-3-5-14(13)16/h2-5,10-11,15,17H,6-9H2,1H3
InChIKeyXITORHDZEVGCNY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.17
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122463401) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122463401
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESCn1cc(CNC2CC23CCc2ccccc23)cn1
InChIInChI=1S/C16H19N3/c1-19-11-12(10-18-19)9-17-15-8-16(15)7-6-13-4-2-3-5-14(13)16/h2-5,10-11,15,17H,6-9H2,1H3
InChIKeyXITORHDZEVGCNY-UHFFFAOYSA-N
XLogP2.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122463401) is N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is Cn1cc(CNC2CC23CCc2ccccc23)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is XITORHDZEVGCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-19-11-12(10-18-19)9-17-15-8-16(15)7-6-13-4-2-3-5-14(13)16/h2-5,10-11,15,17H,6-9H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 253.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).