N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C9H9F6N3O — CID 103310308

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1[nH]nc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1C
InChIInChI=1S/C9H9F6N3O/c1-3-4(2)17-18-6(3)16-7(19)5(8(10,11)12)9(13,14)15/h5H,1-2H3,(H2,16,17,18,19)
InChIKeyUCQNNCBFMSENHQ-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.71
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310308) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310308
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1[nH]nc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1C
InChIInChI=1S/C9H9F6N3O/c1-3-4(2)17-18-6(3)16-7(19)5(8(10,11)12)9(13,14)15/h5H,1-2H3,(H2,16,17,18,19)
InChIKeyUCQNNCBFMSENHQ-UHFFFAOYSA-N
XLogP2.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15312520
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3-Methacroylamino-5-methylpyrazole
CID 15312519
2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 47477433
2-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71847753
N-(4-Chloro-5-methyl-1H-pyrazol-3-yl)-2,2,2-trifluoro-acetamide
CID 21071162
N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 47474927
N-[4-iodo-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717285
ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 144617155
2-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 177733257
3-cyclopropyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 47477420

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310308) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is Cc1[nH]nc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is UCQNNCBFMSENHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-3-4(2)17-18-6(3)16-7(19)5(8(10,11)12)9(13,14)15/h5H,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 289.18 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).