N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C19H26N4O — CID 51104829

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCc2ccccc21
InChIInChI=1S/C19H26N4O/c1-14-17(19(22(2)21-14)23-9-11-24-12-10-23)13-20-18-8-7-15-5-3-4-6-16(15)18/h3-6,18,20H,7-13H2,1-2H3
InChIKeyIQSIHRQDCQFILK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.34
Rot. Bonds4

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 51104829) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID51104829
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCc2ccccc21
InChIInChI=1S/C19H26N4O/c1-14-17(19(22(2)21-14)23-9-11-24-12-10-23)13-20-18-8-7-15-5-3-4-6-16(15)18/h3-6,18,20H,7-13H2,1-2H3
InChIKeyIQSIHRQDCQFILK-UHFFFAOYSA-N
XLogP2.34
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 51104829) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1nn(C)c(N2CCOCC2)c1CNC1CCc2ccccc21.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IQSIHRQDCQFILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-17(19(22(2)21-14)23-9-11-24-12-10-23)13-20-18-8-7-15-5-3-4-6-16(15)18/h3-6,18,20H,7-13H2,1-2H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 326.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 51104829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).