4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C17H23FN4 — CID 95141533

IUPAC4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H]1CCc2c(F)cccc21
InChIInChI=1S/C17H23FN4/c1-11-14(17(21(2)3)22(4)20-11)10-19-16-9-8-12-13(16)6-5-7-15(12)18/h5-7,16,19H,8-10H2,1-4H3/t16-/m1/s1
InChIKeyQEFHYLADRYZBDX-MRXNPFEDSA-N
MW302.40 g/mol
LogP2.71
Rot. Bonds4

About 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 95141533) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID95141533
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H]1CCc2c(F)cccc21
InChIInChI=1S/C17H23FN4/c1-11-14(17(21(2)3)22(4)20-11)10-19-16-9-8-12-13(16)6-5-7-15(12)18/h5-7,16,19H,8-10H2,1-4H3/t16-/m1/s1
InChIKeyQEFHYLADRYZBDX-MRXNPFEDSA-N
XLogP2.71
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 95141533) is 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCc2c(F)cccc21.
What is the InChIKey of 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is QEFHYLADRYZBDX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23FN4/c1-11-14(17(21(2)3)22(4)20-11)10-19-16-9-8-12-13(16)6-5-7-15(12)18/h5-7,16,19H,8-10H2,1-4H3/t16-/m1/s1.
What are the key properties of 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 302.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 95141533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).