2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol

C12H21N3O — CID 115653189

IUPAC2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol
SMILESCc1cc(NC2CCCCC2)n(CCO)n1
InChIInChI=1S/C12H21N3O/c1-10-9-12(15(14-10)7-8-16)13-11-5-3-2-4-6-11/h9,11,13,16H,2-8H2,1H3
InChIKeyVLHMDBONQRLXQW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.93
Rot. Bonds4

About 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol

2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol (PubChem CID 115653189) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol
PubChem CID115653189
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol
SMILESCc1cc(NC2CCCCC2)n(CCO)n1
InChIInChI=1S/C12H21N3O/c1-10-9-12(15(14-10)7-8-16)13-11-5-3-2-4-6-11/h9,11,13,16H,2-8H2,1H3
InChIKeyVLHMDBONQRLXQW-UHFFFAOYSA-N
XLogP1.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol (CID 115653189) is 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol is Cc1cc(NC2CCCCC2)n(CCO)n1.
What is the InChIKey of 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol?
The InChIKey is VLHMDBONQRLXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-9-12(15(14-10)7-8-16)13-11-5-3-2-4-6-11/h9,11,13,16H,2-8H2,1H3.
What are the key properties of 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol?
2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 115653189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).