N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide

C16H20F3N3O2S — CID 142672472

IUPACN-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](CCCCCn1ccc(-c2ccc(C(=O)NO)s2)n1)C(F)(F)F
InChIInChI=1S/C16H20F3N3O2S/c1-11(16(17,18)19)5-3-2-4-9-22-10-8-12(20-22)13-6-7-14(25-13)15(23)21-24/h6-8,10-11,24H,2-5,9H2,1H3,(H,21,23)/t11-/m0/s1
InChIKeyKECHCDGENGCFBQ-NSHDSACASA-N
MW375.42 g/mol
LogP4.49
Rot. Bonds8

About N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide

N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 142672472) has the molecular formula C16H20F3N3O2S and a molecular weight of 375.42 g/mol. Its IUPAC name is N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID142672472
Molecular FormulaC16H20F3N3O2S
Molecular Weight375.42 g/mol
Exact Mass375.12
IUPAC NameN-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESC[C@@H](CCCCCn1ccc(-c2ccc(C(=O)NO)s2)n1)C(F)(F)F
InChIInChI=1S/C16H20F3N3O2S/c1-11(16(17,18)19)5-3-2-4-9-22-10-8-12(20-22)13-6-7-14(25-13)15(23)21-24/h6-8,10-11,24H,2-5,9H2,1H3,(H,21,23)/t11-/m0/s1
InChIKeyKECHCDGENGCFBQ-NSHDSACASA-N
XLogP4.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

5-[1-[2-(4-fluoroanilino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
CID 10406211
N-(oxan-2-yloxy)-5-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 58657284
1-[5-[3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone
CID 29211216
5-[1-[2-(2-cyclohexa-1,3-dien-1-ylethylamino)-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
CID 142858027
5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
CID 58657297
methyl 5-[1-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 174491176
N-(oxan-2-yloxy)-5-[1-(2-phenylethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 58657075
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide
CID 23628030
5-[1-[2-[[(2Z,4Z)-3-(butylideneamino)-4-ethenylhexa-2,4-dien-2-yl]amino]-2-oxoethyl]pyrazol-3-yl]-N-hydroxythiophene-2-carboxamide
CID 142858012
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 58955928
methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 58657112
methyl 5-[1-[2-(3,5-difluoroanilino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 58657074

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 142672472) is N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide is C[C@@H](CCCCCn1ccc(-c2ccc(C(=O)NO)s2)n1)C(F)(F)F.
What is the InChIKey of N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is KECHCDGENGCFBQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H20F3N3O2S/c1-11(16(17,18)19)5-3-2-4-9-22-10-8-12(20-22)13-6-7-14(25-13)15(23)21-24/h6-8,10-11,24H,2-5,9H2,1H3,(H,21,23)/t11-/m0/s1.
What are the key properties of N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide?
N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 142672472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).