methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate

C10H9F2N3OS — CID 121211106

IUPACmethyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate
SMILES[H]/N=C(\OC)c1cc(-c2cccs2)nn1C(F)F
InChIInChI=1S/C10H9F2N3OS/c1-16-9(13)7-5-6(8-3-2-4-17-8)14-15(7)10(11)12/h2-5,10,13H,1H3/b13-9-
InChIKeyMHVRYLCRKAWMJK-LCYFTJDESA-N
MW257.26 g/mol
LogP2.98
Rot. Bonds3

About methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate

methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate (PubChem CID 121211106) has the molecular formula C10H9F2N3OS and a molecular weight of 257.26 g/mol. Its IUPAC name is methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate.

Molecular Properties

Compound Namemethyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate
PubChem CID121211106
Molecular FormulaC10H9F2N3OS
Molecular Weight257.26 g/mol
Exact Mass257.04
IUPAC Namemethyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate
SMILES[H]/N=C(\OC)c1cc(-c2cccs2)nn1C(F)F
InChIInChI=1S/C10H9F2N3OS/c1-16-9(13)7-5-6(8-3-2-4-17-8)14-15(7)10(11)12/h2-5,10,13H,1H3/b13-9-
InChIKeyMHVRYLCRKAWMJK-LCYFTJDESA-N
XLogP2.98
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine
CID 121211134
methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate
CID 121211919
methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate
CID 121211890
methyl 1-methyl-3-thiophen-3-ylpyrazole-5-carboximidate
CID 121211217
methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboximidate
CID 121211220
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121214175
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 6946083
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4274947
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964

Frequently Asked Questions

What is the IUPAC name of methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate?
The IUPAC name of methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate (CID 121211106) is methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate.
What is the SMILES notation for methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate?
The canonical SMILES for methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate is [H]/N=C(\OC)c1cc(-c2cccs2)nn1C(F)F.
What is the InChIKey of methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate?
The InChIKey is MHVRYLCRKAWMJK-LCYFTJDESA-N. The full InChI is InChI=1S/C10H9F2N3OS/c1-16-9(13)7-5-6(8-3-2-4-17-8)14-15(7)10(11)12/h2-5,10,13H,1H3/b13-9-.
What are the key properties of methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate?
methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate has a molecular weight of 257.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate is sourced from PubChem (CID 121211106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).