[3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol

C14H23N3O — CID 95841074

IUPAC[3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol
SMILESOCc1cc([C@@H]2CCCN2C2CCCCC2)n[nH]1
InChIInChI=1S/C14H23N3O/c18-10-11-9-13(16-15-11)14-7-4-8-17(14)12-5-2-1-3-6-12/h9,12,14,18H,1-8,10H2,(H,15,16)/t14-/m0/s1
InChIKeyLYMITMWLUAOKLN-AWEZNQCLSA-N
MW249.36 g/mol
LogP2.37
Rot. Bonds3

About [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol

[3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol (PubChem CID 95841074) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol
PubChem CID95841074
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol
SMILESOCc1cc([C@@H]2CCCN2C2CCCCC2)n[nH]1
InChIInChI=1S/C14H23N3O/c18-10-11-9-13(16-15-11)14-7-4-8-17(14)12-5-2-1-3-6-12/h9,12,14,18H,1-8,10H2,(H,15,16)/t14-/m0/s1
InChIKeyLYMITMWLUAOKLN-AWEZNQCLSA-N
XLogP2.37
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol (CID 95841074) is [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol is OCc1cc([C@@H]2CCCN2C2CCCCC2)n[nH]1.
What is the InChIKey of [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol?
The InChIKey is LYMITMWLUAOKLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O/c18-10-11-9-13(16-15-11)14-7-4-8-17(14)12-5-2-1-3-6-12/h9,12,14,18H,1-8,10H2,(H,15,16)/t14-/m0/s1.
What are the key properties of [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol?
[3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 95841074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).