N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide

C14H14F3N3O2S — CID 72663647

IUPACN-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C(F)(F)F)c(C2C(C(=O)NO)C2c2cnn(C)c2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-6-3-8(14(15,16)17)12(23-6)10-9(11(10)13(21)19-22)7-4-18-20(2)5-7/h3-5,9-11,22H,1-2H3,(H,19,21)
InChIKeyBILOHGRUZVLZJB-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.81
Rot. Bonds3

About N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide

N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide (PubChem CID 72663647) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide
PubChem CID72663647
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C(F)(F)F)c(C2C(C(=O)NO)C2c2cnn(C)c2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-6-3-8(14(15,16)17)12(23-6)10-9(11(10)13(21)19-22)7-4-18-20(2)5-7/h3-5,9-11,22H,1-2H3,(H,19,21)
InChIKeyBILOHGRUZVLZJB-UHFFFAOYSA-N
XLogP2.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.81
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-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide (CID 72663647) is N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide is Cc1cc(C(F)(F)F)c(C2C(C(=O)NO)C2c2cnn(C)c2)s1.
What is the InChIKey of N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide?
The InChIKey is BILOHGRUZVLZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-6-3-8(14(15,16)17)12(23-6)10-9(11(10)13(21)19-22)7-4-18-20(2)5-7/h3-5,9-11,22H,1-2H3,(H,19,21).
What are the key properties of N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide?
N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1-methylpyrazol-4-yl)-3-[5-methyl-3-(trifluoromethyl)thiophen-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 72663647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).