3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide

C14H9Cl3N6O — CID 57381412

IUPAC3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide
SMILESO=C(NNc1ncccc1Cl)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C14H9Cl3N6O/c15-8-3-1-5-18-12(8)20-21-14(24)10-7-11(17)22-23(10)13-9(16)4-2-6-19-13/h1-7H,(H,18,20)(H,21,24)
InChIKeyZYTFBNYBPDXKCS-UHFFFAOYSA-N
MW383.63 g/mol
LogP3.38
Rot. Bonds4

About 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide

3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide (PubChem CID 57381412) has the molecular formula C14H9Cl3N6O and a molecular weight of 383.63 g/mol. Its IUPAC name is 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide
PubChem CID57381412
Molecular FormulaC14H9Cl3N6O
Molecular Weight383.63 g/mol
Exact Mass381.99
IUPAC Name3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide
SMILESO=C(NNc1ncccc1Cl)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C14H9Cl3N6O/c15-8-3-1-5-18-12(8)20-21-14(24)10-7-11(17)22-23(10)13-9(16)4-2-6-19-13/h1-7H,(H,18,20)(H,21,24)
InChIKeyZYTFBNYBPDXKCS-UHFFFAOYSA-N
XLogP3.38
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-2-pyridinyl)pyridine-2-carbohydrazide
CID 171665716
(2,5-dioxopyrrolidin-1-yl) 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 175730871
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide
CID 141260277
pentyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 59549392
3-chloro-1-(3-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride
CID 164570520
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
CID 139400912
1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
CID 69084526
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide
CID 44557480
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)phenyl]pyrazole-5-carboxamide
CID 122592459
1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
CID 58320703
1-(3-chloro-2-pyridinyl)-3-formylpyrazole-5-carboxylic acid
CID 118413128
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide?
The IUPAC name of 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide (CID 57381412) is 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide?
The canonical SMILES for 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide is O=C(NNc1ncccc1Cl)c1cc(Cl)nn1-c1ncccc1Cl.
What is the InChIKey of 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide?
The InChIKey is ZYTFBNYBPDXKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N6O/c15-8-3-1-5-18-12(8)20-21-14(24)10-7-11(17)22-23(10)13-9(16)4-2-6-19-13/h1-7H,(H,18,20)(H,21,24).
What are the key properties of 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide?
3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide has a molecular weight of 383.63 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 57381412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).