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

C19H25FN4O — CID 51131387

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCc2cc(F)ccc21
InChIInChI=1S/C19H25FN4O/c1-13-17(19(23(2)22-13)24-7-9-25-10-8-24)12-21-18-6-3-14-11-15(20)4-5-16(14)18/h4-5,11,18,21H,3,6-10,12H2,1-2H3
InChIKeyUVUCSBKKJOQOST-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.48
Rot. Bonds4

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

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 51131387) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID51131387
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCc2cc(F)ccc21
InChIInChI=1S/C19H25FN4O/c1-13-17(19(23(2)22-13)24-7-9-25-10-8-24)12-21-18-6-3-14-11-15(20)4-5-16(14)18/h4-5,11,18,21H,3,6-10,12H2,1-2H3
InChIKeyUVUCSBKKJOQOST-UHFFFAOYSA-N
XLogP2.48
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.48
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]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 51131387) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is Cc1nn(C)c(N2CCOCC2)c1CNC1CCc2cc(F)ccc21.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UVUCSBKKJOQOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-13-17(19(23(2)22-13)24-7-9-25-10-8-24)12-21-18-6-3-14-11-15(20)4-5-16(14)18/h4-5,11,18,21H,3,6-10,12H2,1-2H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 344.43 g/mol, XLogP of 2.48, 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]-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 51131387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).