[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol

C15H19N3O — CID 58230789

IUPAC[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2ccc3c(c2)C[C@@H](N)C3)cc1CO
InChIInChI=1S/C15H19N3O/c1-10-14(9-19)8-18(17-10)7-11-2-3-12-5-15(16)6-13(12)4-11/h2-4,8,15,19H,5-7,9,16H2,1H3/t15-/m0/s1
InChIKeyDAUMBJIAKRBRJQ-HNNXBMFYSA-N
MW257.34 g/mol
LogP1.16
Rot. Bonds3

About [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol

[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol (PubChem CID 58230789) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol
PubChem CID58230789
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2ccc3c(c2)C[C@@H](N)C3)cc1CO
InChIInChI=1S/C15H19N3O/c1-10-14(9-19)8-18(17-10)7-11-2-3-12-5-15(16)6-13(12)4-11/h2-4,8,15,19H,5-7,9,16H2,1H3/t15-/m0/s1
InChIKeyDAUMBJIAKRBRJQ-HNNXBMFYSA-N
XLogP1.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol (CID 58230789) is [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol is Cc1nn(Cc2ccc3c(c2)C[C@@H](N)C3)cc1CO.
What is the InChIKey of [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol?
The InChIKey is DAUMBJIAKRBRJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-14(9-19)8-18(17-10)7-11-2-3-12-5-15(16)6-13(12)4-11/h2-4,8,15,19H,5-7,9,16H2,1H3/t15-/m0/s1.
What are the key properties of [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol?
[1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol has a molecular weight of 257.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S)-2-amino-2,3-dihydro-1H-inden-5-yl]methyl]-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 58230789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).