5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide

C16H11Cl2F2N5O — CID 75370746

IUPAC5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide
SMILESO=C(NNc1ccccc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl
InChIInChI=1S/C16H11Cl2F2N5O/c17-12-7-4-8-21-14(12)25-13(16(18,19)20)11(9-22-25)15(26)24-23-10-5-2-1-3-6-10/h1-9,23H,(H,24,26)
InChIKeyLXLVIFVHHIZLKP-UHFFFAOYSA-N
MW398.20 g/mol
LogP3.97
Rot. Bonds5

About 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide

5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide (PubChem CID 75370746) has the molecular formula C16H11Cl2F2N5O and a molecular weight of 398.20 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide
PubChem CID75370746
Molecular FormulaC16H11Cl2F2N5O
Molecular Weight398.20 g/mol
Exact Mass397.03
IUPAC Name5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide
SMILESO=C(NNc1ccccc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl
InChIInChI=1S/C16H11Cl2F2N5O/c17-12-7-4-8-21-14(12)25-13(16(18,19)20)11(9-22-25)15(26)24-23-10-5-2-1-3-6-10/h1-9,23H,(H,24,26)
InChIKeyLXLVIFVHHIZLKP-UHFFFAOYSA-N
XLogP3.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119501500
N-(3-aminopropyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119406316
N-[(2S)-1-aminopropan-2-yl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 120505787
1-(3-chloro-2-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285264
N-(2-amino-2-ethylbutyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119641206
1-(3-chloro-2-pyridinyl)-N-piperidin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119426018
1-(3-chloro-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119511572
1-(3-chloro-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119511571
N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119602270
N-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816345
3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide
CID 57381412
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141361768

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide?
The IUPAC name of 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide (CID 75370746) is 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide is O=C(NNc1ccccc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl.
What is the InChIKey of 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide?
The InChIKey is LXLVIFVHHIZLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F2N5O/c17-12-7-4-8-21-14(12)25-13(16(18,19)20)11(9-22-25)15(26)24-23-10-5-2-1-3-6-10/h1-9,23H,(H,24,26).
What are the key properties of 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide?
5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide has a molecular weight of 398.20 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]-1-(3-chloro-2-pyridinyl)-N'-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 75370746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).