1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide

C14H16F2N4O2 — CID 176780665

IUPAC1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide
SMILESCOc1ccc(C)c(NNC(=O)c2ccn(C(F)F)n2)c1C
InChIInChI=1S/C14H16F2N4O2/c1-8-4-5-11(22-3)9(2)12(8)17-18-13(21)10-6-7-20(19-10)14(15)16/h4-7,14,17H,1-3H3,(H,18,21)
InChIKeyNKPXVHYTJFNLHN-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.66
Rot. Bonds5

About 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide

1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide (PubChem CID 176780665) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide
PubChem CID176780665
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide
SMILESCOc1ccc(C)c(NNC(=O)c2ccn(C(F)F)n2)c1C
InChIInChI=1S/C14H16F2N4O2/c1-8-4-5-11(22-3)9(2)12(8)17-18-13(21)10-6-7-20(19-10)14(15)16/h4-7,14,17H,1-3H3,(H,18,21)
InChIKeyNKPXVHYTJFNLHN-UHFFFAOYSA-N
XLogP2.66
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethyl)-N-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]pyrazole-3-carboxamide
CID 134714289
N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19264128
1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19268513
1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide
CID 122565606
2-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504057
1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19268483
1-(difluoromethyl)-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19282073
ethyl 5-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19268660
ethyl 4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 4866590
methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate
CID 107427738
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268457

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide (CID 176780665) is 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide is COc1ccc(C)c(NNC(=O)c2ccn(C(F)F)n2)c1C.
What is the InChIKey of 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide?
The InChIKey is NKPXVHYTJFNLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-8-4-5-11(22-3)9(2)12(8)17-18-13(21)10-6-7-20(19-10)14(15)16/h4-7,14,17H,1-3H3,(H,18,21).
What are the key properties of 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide?
1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide has a molecular weight of 310.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N'-(3-methoxy-2,6-dimethylphenyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 176780665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).