3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide

C19H19F2N3O2 — CID 162689526

IUPAC3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide
SMILESCC(C)Oc1cccc2c(NC(=O)c3cn(C)nc3C(F)F)cccc12
InChIInChI=1S/C19H19F2N3O2/c1-11(2)26-16-9-5-6-12-13(16)7-4-8-15(12)22-19(25)14-10-24(3)23-17(14)18(20)21/h4-11,18H,1-3H3,(H,22,25)
InChIKeyKORJAUTUBOCTAV-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.55
Rot. Bonds5

About 3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide (PubChem CID 162689526) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide
PubChem CID162689526
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide
SMILESCC(C)Oc1cccc2c(NC(=O)c3cn(C)nc3C(F)F)cccc12
InChIInChI=1S/C19H19F2N3O2/c1-11(2)26-16-9-5-6-12-13(16)7-4-8-15(12)22-19(25)14-10-24(3)23-17(14)18(20)21/h4-11,18H,1-3H3,(H,22,25)
InChIKeyKORJAUTUBOCTAV-UHFFFAOYSA-N
XLogP4.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 90333659
3-(difluoromethyl)-1-methyl-N-(2-methyl-3-pentoxyphenyl)pyrazole-4-carboxamide
CID 175098162
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
3-(difluoromethyl)-1-methyl-N-[5-(3-methylbutoxy)naphthalen-1-yl]pyrazole-4-carbothioamide
CID 162689523
N-(3-tert-butyl-2-fluorophenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 146322613
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
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-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 57466155
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
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-[2-(4,4,4-trifluoro-3-methylbutyl)phenyl]pyrazole-4-carboxamide
CID 57497963

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide (CID 162689526) is 3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide is CC(C)Oc1cccc2c(NC(=O)c3cn(C)nc3C(F)F)cccc12.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide?
The InChIKey is KORJAUTUBOCTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-11(2)26-16-9-5-6-12-13(16)7-4-8-15(12)22-19(25)14-10-24(3)23-17(14)18(20)21/h4-11,18H,1-3H3,(H,22,25).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 4.55, 5 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-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 162689526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).