2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide

C18H18N4O2 — CID 166026444

IUPAC2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide
SMILESCC(C(N)=O)c1ccc(O)c(Nc2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C18H18N4O2/c1-11(18(19)24)13-4-7-17(23)16(8-13)22-15-5-2-12(3-6-15)14-9-20-21-10-14/h2-11,22-23H,1H3,(H2,19,24)(H,20,21)
InChIKeyWOMGUKYTYZBTTM-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide

2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide (PubChem CID 166026444) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide.

Molecular Properties

Compound Name2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide
PubChem CID166026444
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide
SMILESCC(C(N)=O)c1ccc(O)c(Nc2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C18H18N4O2/c1-11(18(19)24)13-4-7-17(23)16(8-13)22-15-5-2-12(3-6-15)14-9-20-21-10-14/h2-11,22-23H,1H3,(H2,19,24)(H,20,21)
InChIKeyWOMGUKYTYZBTTM-UHFFFAOYSA-N
XLogP3.11
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide?
The IUPAC name of 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide (CID 166026444) is 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide.
What is the SMILES notation for 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide?
The canonical SMILES for 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide is CC(C(N)=O)c1ccc(O)c(Nc2ccc(-c3cn[nH]c3)cc2)c1.
What is the InChIKey of 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide?
The InChIKey is WOMGUKYTYZBTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11(18(19)24)13-4-7-17(23)16(8-13)22-15-5-2-12(3-6-15)14-9-20-21-10-14/h2-11,22-23H,1H3,(H2,19,24)(H,20,21).
What are the key properties of 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide?
2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-[4-(1H-pyrazol-4-yl)anilino]phenyl]propanamide is sourced from PubChem (CID 166026444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).