1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol

C16H23N3O — CID 79106230

IUPAC1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C16H23N3O/c1-13(20)14-7-9-18(11-14)12-15-8-10-19(17-15)16-5-3-2-4-6-16/h7-11,13,16,20H,2-6,12H2,1H3
InChIKeyDHJUJTOEAVTHQT-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.29
Rot. Bonds4

About 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol

1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol (PubChem CID 79106230) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol
PubChem CID79106230
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C16H23N3O/c1-13(20)14-7-9-18(11-14)12-15-8-10-19(17-15)16-5-3-2-4-6-16/h7-11,13,16,20H,2-6,12H2,1H3
InChIKeyDHJUJTOEAVTHQT-UHFFFAOYSA-N
XLogP3.29
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79109333
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79109471
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407704
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405542
1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776964
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-cyclohexyl-3-ethylpyrazole
CID 66014335
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776963
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol (CID 79106230) is 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol is CC(O)c1ccn(Cc2ccn(C3CCCCC3)n2)c1.
What is the InChIKey of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol?
The InChIKey is DHJUJTOEAVTHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(20)14-7-9-18(11-14)12-15-8-10-19(17-15)16-5-3-2-4-6-16/h7-11,13,16,20H,2-6,12H2,1H3.
What are the key properties of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol?
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol has a molecular weight of 273.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol is sourced from PubChem (CID 79106230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).