[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone

C19H16N4O2 — CID 54585959

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C19H16N4O2/c24-18-8-2-1-6-14(18)17-11-16(13-5-3-9-20-12-13)22-23(17)19(25)15-7-4-10-21-15/h1-10,12,17,21,24H,11H2
InChIKeyHWIJNEYNLNZLHH-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.11
Rot. Bonds3

About [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 54585959) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID54585959
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C19H16N4O2/c24-18-8-2-1-6-14(18)17-11-16(13-5-3-9-20-12-13)22-23(17)19(25)15-7-4-10-21-15/h1-10,12,17,21,24H,11H2
InChIKeyHWIJNEYNLNZLHH-UHFFFAOYSA-N
XLogP3.11
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone (CID 54585959) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is HWIJNEYNLNZLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18-8-2-1-6-14(18)17-11-16(13-5-3-9-20-12-13)22-23(17)19(25)15-7-4-10-21-15/h1-10,12,17,21,24H,11H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 332.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 54585959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).