N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide

C19H21N3O2 — CID 118714382

IUPACN-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide
SMILESO=C(CCCCc1ccn(Cc2ccc3ccccc3c2)n1)NO
InChIInChI=1S/C19H21N3O2/c23-19(21-24)8-4-3-7-18-11-12-22(20-18)14-15-9-10-16-5-1-2-6-17(16)13-15/h1-2,5-6,9-13,24H,3-4,7-8,14H2,(H,21,23)
InChIKeyVRSKSLZJIOGLJB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.30
Rot. Bonds7

About N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide

N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide (PubChem CID 118714382) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide
PubChem CID118714382
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide
SMILESO=C(CCCCc1ccn(Cc2ccc3ccccc3c2)n1)NO
InChIInChI=1S/C19H21N3O2/c23-19(21-24)8-4-3-7-18-11-12-22(20-18)14-15-9-10-16-5-1-2-6-17(16)13-15/h1-2,5-6,9-13,24H,3-4,7-8,14H2,(H,21,23)
InChIKeyVRSKSLZJIOGLJB-UHFFFAOYSA-N
XLogP3.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide?
The IUPAC name of N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide (CID 118714382) is N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide?
The canonical SMILES for N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide is O=C(CCCCc1ccn(Cc2ccc3ccccc3c2)n1)NO.
What is the InChIKey of N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide?
The InChIKey is VRSKSLZJIOGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(21-24)8-4-3-7-18-11-12-22(20-18)14-15-9-10-16-5-1-2-6-17(16)13-15/h1-2,5-6,9-13,24H,3-4,7-8,14H2,(H,21,23).
What are the key properties of N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide?
N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide has a molecular weight of 323.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-(naphthalen-2-ylmethyl)pyrazol-3-yl]pentanamide is sourced from PubChem (CID 118714382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).