N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide

C16H15N3O2S — CID 11723098

IUPACN-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccn(CCc3ccccc3)n2)s1
InChIInChI=1S/C16H15N3O2S/c20-16(18-21)15-7-6-14(22-15)13-9-11-19(17-13)10-8-12-4-2-1-3-5-12/h1-7,9,11,21H,8,10H2,(H,18,20)
InChIKeyNDUBRKUSUATMPM-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.97
Rot. Bonds5

About N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide

N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 11723098) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID11723098
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(NO)c1ccc(-c2ccn(CCc3ccccc3)n2)s1
InChIInChI=1S/C16H15N3O2S/c20-16(18-21)15-7-6-14(22-15)13-9-11-19(17-13)10-8-12-4-2-1-3-5-12/h1-7,9,11,21H,8,10H2,(H,18,20)
InChIKeyNDUBRKUSUATMPM-UHFFFAOYSA-N
XLogP2.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.97
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-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 11723098) is N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide is O=C(NO)c1ccc(-c2ccn(CCc3ccccc3)n2)s1.
What is the InChIKey of N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is NDUBRKUSUATMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(18-21)15-7-6-14(22-15)13-9-11-19(17-13)10-8-12-4-2-1-3-5-12/h1-7,9,11,21H,8,10H2,(H,18,20).
What are the key properties of N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide?
N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11723098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).