4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide

C19H23N5O2 — CID 71873847

IUPAC4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
SMILESCC(C)c1cccc(-n2cc(O)c(C(=O)NCCCn3cccn3)n2)c1
InChIInChI=1S/C19H23N5O2/c1-14(2)15-6-3-7-16(12-15)24-13-17(25)18(22-24)19(26)20-8-4-10-23-11-5-9-21-23/h3,5-7,9,11-14,25H,4,8,10H2,1-2H3,(H,20,26)
InChIKeyMILCKEPXUGFFOZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.72
Rot. Bonds7

About 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide

4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide (PubChem CID 71873847) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
PubChem CID71873847
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
SMILESCC(C)c1cccc(-n2cc(O)c(C(=O)NCCCn3cccn3)n2)c1
InChIInChI=1S/C19H23N5O2/c1-14(2)15-6-3-7-16(12-15)24-13-17(25)18(22-24)19(26)20-8-4-10-23-11-5-9-21-23/h3,5-7,9,11-14,25H,4,8,10H2,1-2H3,(H,20,26)
InChIKeyMILCKEPXUGFFOZ-UHFFFAOYSA-N
XLogP2.72
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide (CID 71873847) is 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide is CC(C)c1cccc(-n2cc(O)c(C(=O)NCCCn3cccn3)n2)c1.
What is the InChIKey of 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is MILCKEPXUGFFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14(2)15-6-3-7-16(12-15)24-13-17(25)18(22-24)19(26)20-8-4-10-23-11-5-9-21-23/h3,5-7,9,11-14,25H,4,8,10H2,1-2H3,(H,20,26).
What are the key properties of 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide?
4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-propan-2-ylphenyl)-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71873847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).