N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide

C18H24N4O2 — CID 86292051

IUPACN-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC(C)N1CCC(c2cc(C(=O)NO)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H24N4O2/c1-13(2)21-10-8-14(9-11-21)16-12-17(18(23)20-24)22(19-16)15-6-4-3-5-7-15/h3-7,12-14,24H,8-11H2,1-2H3,(H,20,23)
InChIKeyDGVQYKCNCCNBOX-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.58
Rot. Bonds4

About N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide

N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (PubChem CID 86292051) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
PubChem CID86292051
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCC(C)N1CCC(c2cc(C(=O)NO)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H24N4O2/c1-13(2)21-10-8-14(9-11-21)16-12-17(18(23)20-24)22(19-16)15-6-4-3-5-7-15/h3-7,12-14,24H,8-11H2,1-2H3,(H,20,23)
InChIKeyDGVQYKCNCCNBOX-UHFFFAOYSA-N
XLogP2.58
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The IUPAC name of N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide (CID 86292051) is N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is CC(C)N1CCC(c2cc(C(=O)NO)n(-c3ccccc3)n2)CC1.
What is the InChIKey of N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
The InChIKey is DGVQYKCNCCNBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)21-10-8-14(9-11-21)16-12-17(18(23)20-24)22(19-16)15-6-4-3-5-7-15/h3-7,12-14,24H,8-11H2,1-2H3,(H,20,23).
What are the key properties of N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide?
N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 86292051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).