[3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol

C19H17N3O — CID 155912469

IUPAC[3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol
SMILESCc1c(CO)[nH]c2ccc(-c3ccc(-c4cn[nH]c4)cc3)cc12
InChIInChI=1S/C19H17N3O/c1-12-17-8-15(6-7-18(17)22-19(12)11-23)13-2-4-14(5-3-13)16-9-20-21-10-16/h2-10,22-23H,11H2,1H3,(H,20,21)
InChIKeyIAHVDNYINMHBDF-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.03
Rot. Bonds3

About [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol

[3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol (PubChem CID 155912469) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol
PubChem CID155912469
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name[3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol
SMILESCc1c(CO)[nH]c2ccc(-c3ccc(-c4cn[nH]c4)cc3)cc12
InChIInChI=1S/C19H17N3O/c1-12-17-8-15(6-7-18(17)22-19(12)11-23)13-2-4-14(5-3-13)16-9-20-21-10-16/h2-10,22-23H,11H2,1H3,(H,20,21)
InChIKeyIAHVDNYINMHBDF-UHFFFAOYSA-N
XLogP4.03
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol?
The IUPAC name of [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol (CID 155912469) is [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol.
What is the SMILES notation for [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol?
The canonical SMILES for [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol is Cc1c(CO)[nH]c2ccc(-c3ccc(-c4cn[nH]c4)cc3)cc12.
What is the InChIKey of [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol?
The InChIKey is IAHVDNYINMHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-17-8-15(6-7-18(17)22-19(12)11-23)13-2-4-14(5-3-13)16-9-20-21-10-16/h2-10,22-23H,11H2,1H3,(H,20,21).
What are the key properties of [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol?
[3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol has a molecular weight of 303.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[4-(1H-pyrazol-4-yl)phenyl]-1H-indol-2-yl]methanol is sourced from PubChem (CID 155912469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).