[1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol

C9H16N2O — CID 124500365

IUPAC[1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol
SMILESCC[C@H](C)Cn1ccc(CO)n1
InChIInChI=1S/C9H16N2O/c1-3-8(2)6-11-5-4-9(7-12)10-11/h4-5,8,12H,3,6-7H2,1-2H3/t8-/m0/s1
InChIKeyVAIKHGKHQQNPSO-QMMMGPOBSA-N
MW168.24 g/mol
LogP1.42
Rot. Bonds4

About [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol

[1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol (PubChem CID 124500365) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol
PubChem CID124500365
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name[1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol
SMILESCC[C@H](C)Cn1ccc(CO)n1
InChIInChI=1S/C9H16N2O/c1-3-8(2)6-11-5-4-9(7-12)10-11/h4-5,8,12H,3,6-7H2,1-2H3/t8-/m0/s1
InChIKeyVAIKHGKHQQNPSO-QMMMGPOBSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol?
The IUPAC name of [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol (CID 124500365) is [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol is CC[C@H](C)Cn1ccc(CO)n1.
What is the InChIKey of [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol?
The InChIKey is VAIKHGKHQQNPSO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-8(2)6-11-5-4-9(7-12)10-11/h4-5,8,12H,3,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol?
[1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol has a molecular weight of 168.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-2-methylbutyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 124500365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).