1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide

C11H10F2N4O2 — CID 19618706

IUPAC1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C11H10F2N4O2/c12-7-1-2-10(8(13)5-7)19-6-17-4-3-9(16-17)11(18)15-14/h1-5H,6,14H2,(H,15,18)
InChIKeyCHYPNLRYWQCZQH-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.80
Rot. Bonds4

About 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide

1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide (PubChem CID 19618706) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
PubChem CID19618706
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC Name1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C11H10F2N4O2/c12-7-1-2-10(8(13)5-7)19-6-17-4-3-9(16-17)11(18)15-14/h1-5H,6,14H2,(H,15,18)
InChIKeyCHYPNLRYWQCZQH-UHFFFAOYSA-N
XLogP0.80
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 39891451
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19279852
N-[2-(diethylamino)ethyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280115
1-[(2,4-difluorophenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]pyrazole-3-carboxamide
CID 110279504
1-[(2,4-difluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19279881
1-[(2,4-difluorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19279998
1-[(2,4-difluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279936
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279923
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280029
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280074
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280016
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280073

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide?
The IUPAC name of 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide (CID 19618706) is 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide is NNC(=O)c1ccn(COc2ccc(F)cc2F)n1.
What is the InChIKey of 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide?
The InChIKey is CHYPNLRYWQCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c12-7-1-2-10(8(13)5-7)19-6-17-4-3-9(16-17)11(18)15-14/h1-5H,6,14H2,(H,15,18).
What are the key properties of 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide?
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide has a molecular weight of 268.22 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 19618706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).