[1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol

C15H17N3O — CID 102913155

IUPAC[1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol
SMILESCc1cc(Cn2ccc3ccc(CO)cc32)n(C)n1
InChIInChI=1S/C15H17N3O/c1-11-7-14(17(2)16-11)9-18-6-5-13-4-3-12(10-19)8-15(13)18/h3-8,19H,9-10H2,1-2H3
InChIKeyBSCSXBYEXKZHPL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.22
Rot. Bonds3

About [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol

[1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol (PubChem CID 102913155) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol
PubChem CID102913155
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol
SMILESCc1cc(Cn2ccc3ccc(CO)cc32)n(C)n1
InChIInChI=1S/C15H17N3O/c1-11-7-14(17(2)16-11)9-18-6-5-13-4-3-12(10-19)8-15(13)18/h3-8,19H,9-10H2,1-2H3
InChIKeyBSCSXBYEXKZHPL-UHFFFAOYSA-N
XLogP2.22
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol
CID 66399113
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
7-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]indole
CID 103474991
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
CID 126796353
(1-but-3-ynylindol-6-yl)methanol
CID 102913204
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604494
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912438
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
CID 107690650
3-[[6-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102913186

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol?
The IUPAC name of [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol (CID 102913155) is [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol.
What is the SMILES notation for [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol?
The canonical SMILES for [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol is Cc1cc(Cn2ccc3ccc(CO)cc32)n(C)n1.
What is the InChIKey of [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol?
The InChIKey is BSCSXBYEXKZHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-7-14(17(2)16-11)9-18-6-5-13-4-3-12(10-19)8-15(13)18/h3-8,19H,9-10H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol?
[1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol has a molecular weight of 255.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol is sourced from PubChem (CID 102913155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).