[1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol

C14H23N3O — CID 106936803

IUPAC[1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
SMILESC=Cn1cc(CNC2(CO)CCC(C)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-3-17-10-13(9-16-17)8-15-14(11-18)6-4-12(2)5-7-14/h3,9-10,12,15,18H,1,4-8,11H2,2H3
InChIKeyHQRSDMNNSUMEGL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds5

About [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol

[1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol (PubChem CID 106936803) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
PubChem CID106936803
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
SMILESC=Cn1cc(CNC2(CO)CCC(C)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-3-17-10-13(9-16-17)8-15-14(11-18)6-4-12(2)5-7-14/h3,9-10,12,15,18H,1,4-8,11H2,2H3
InChIKeyHQRSDMNNSUMEGL-UHFFFAOYSA-N
XLogP2.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol (CID 106936803) is [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol is C=Cn1cc(CNC2(CO)CCC(C)CC2)cn1.
What is the InChIKey of [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol?
The InChIKey is HQRSDMNNSUMEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-17-10-13(9-16-17)8-15-14(11-18)6-4-12(2)5-7-14/h3,9-10,12,15,18H,1,4-8,11H2,2H3.
What are the key properties of [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol?
[1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 106936803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).