5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide

C16H17F2N3O2 — CID 136515153

IUPAC5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2OCC(F)F)cc1C1CC1
InChIInChI=1S/C16H17F2N3O2/c1-21-13(10-6-7-10)8-12(20-21)16(22)19-11-4-2-3-5-14(11)23-9-15(17)18/h2-5,8,10,15H,6-7,9H2,1H3,(H,19,22)
InChIKeyMFURNTQUOJFKKI-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.19
Rot. Bonds6

About 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide

5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 136515153) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID136515153
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2OCC(F)F)cc1C1CC1
InChIInChI=1S/C16H17F2N3O2/c1-21-13(10-6-7-10)8-12(20-21)16(22)19-11-4-2-3-5-14(11)23-9-15(17)18/h2-5,8,10,15H,6-7,9H2,1H3,(H,19,22)
InChIKeyMFURNTQUOJFKKI-UHFFFAOYSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
5-benzyl-1-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 137635629
US10988459, Example 14
CID 124178604
US10130633, Example 123
CID 117608507
US10023559, Example 17
CID 118903343
US10023559, Example 42
CID 118903592
US10988459, Example 15
CID 124178611
1-benzyl-4-fluoro-5-methyl-N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299227
1-benzyl-4-fluoro-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299371
N,N'-bis(2-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
CID 1098161
3-cyclopropyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9120566
3-tert-butyl-N-[2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 162659586

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide (CID 136515153) is 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccccc2OCC(F)F)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is MFURNTQUOJFKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-21-13(10-6-7-10)8-12(20-21)16(22)19-11-4-2-3-5-14(11)23-9-15(17)18/h2-5,8,10,15H,6-7,9H2,1H3,(H,19,22).
What are the key properties of 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide?
5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2,2-difluoroethoxy)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136515153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).