3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide

C18H23F2N3O2 — CID 175098162

IUPAC3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide
SMILESCCCCCOc1cccc(NC(=O)c2cn(C)nc2C(F)F)c1C
InChIInChI=1S/C18H23F2N3O2/c1-4-5-6-10-25-15-9-7-8-14(12(15)2)21-18(24)13-11-23(3)22-16(13)17(19)20/h7-9,11,17H,4-6,10H2,1-3H3,(H,21,24)
InChIKeyAJGATCUAYGMJSR-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.49
Rot. Bonds8

About 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide (PubChem CID 175098162) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide
PubChem CID175098162
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide
SMILESCCCCCOc1cccc(NC(=O)c2cn(C)nc2C(F)F)c1C
InChIInChI=1S/C18H23F2N3O2/c1-4-5-6-10-25-15-9-7-8-14(12(15)2)21-18(24)13-11-23(3)22-16(13)17(19)20/h7-9,11,17H,4-6,10H2,1-3H3,(H,21,24)
InChIKeyAJGATCUAYGMJSR-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentan-3-yloxyphenyl)pyrazole-4-carboxamide;3-(difluoromethyl)-1-methylpyrazole-4-carbonyl chloride;2-methyl-3-pentan-3-yloxyaniline
CID 159396689
3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide
CID 162689526
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
N-(3-tert-butyl-2-fluorophenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 146322613
N-(8-butyl-7-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 143769363
3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559816
3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 68910253
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
CID 143209520
3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 57466155
N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 90333659
3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide
CID 141486765

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide (CID 175098162) is 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide is CCCCCOc1cccc(NC(=O)c2cn(C)nc2C(F)F)c1C.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is AJGATCUAYGMJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-4-5-6-10-25-15-9-7-8-14(12(15)2)21-18(24)13-11-23(3)22-16(13)17(19)20/h7-9,11,17H,4-6,10H2,1-3H3,(H,21,24).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175098162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).