N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide

C16H18F3N3O2 — CID 118714374

IUPACN-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide
SMILESO=C(CCCCc1ccn(Cc2ccc(C(F)(F)F)cc2)n1)NO
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)13-7-5-12(6-8-13)11-22-10-9-14(20-22)3-1-2-4-15(23)21-24/h5-10,24H,1-4,11H2,(H,21,23)
InChIKeyDRPWGIFMCQXPNS-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.17
Rot. Bonds7

About N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide

N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide (PubChem CID 118714374) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide
PubChem CID118714374
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide
SMILESO=C(CCCCc1ccn(Cc2ccc(C(F)(F)F)cc2)n1)NO
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)13-7-5-12(6-8-13)11-22-10-9-14(20-22)3-1-2-4-15(23)21-24/h5-10,24H,1-4,11H2,(H,21,23)
InChIKeyDRPWGIFMCQXPNS-UHFFFAOYSA-N
XLogP3.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.17
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-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide?
The IUPAC name of N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide (CID 118714374) is N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide?
The canonical SMILES for N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide is O=C(CCCCc1ccn(Cc2ccc(C(F)(F)F)cc2)n1)NO.
What is the InChIKey of N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide?
The InChIKey is DRPWGIFMCQXPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)13-7-5-12(6-8-13)11-22-10-9-14(20-22)3-1-2-4-15(23)21-24/h5-10,24H,1-4,11H2,(H,21,23).
What are the key properties of N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide?
N-hydroxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide has a molecular weight of 341.33 g/mol, XLogP of 3.17, 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-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pentanamide is sourced from PubChem (CID 118714374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).