4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide

C12H12ClN5O — CID 9618019

IUPAC4-chloro-1-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]pyrazole-5-carboxamide
SMILESC/C(=N\NC(=O)C1=C(C=NN1C)Cl)/C2=CN=CC=C2
InChIInChI=1S/C12H12ClN5O/c1-8(9-4-3-5-14-6-9)16-17-12(19)11-10(13)7-15-18(11)2/h3-7H,1-2H3,(H,17,19)/b16-8+
InChIKeyWIODIXYXWUSFCS-LZYBPNLTSA-N
MW277.71 g/mol
LogP1.30
Rot. Bonds3

About 4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide

4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide (PubChem CID 9618019) has the molecular formula C12H12ClN5O and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide
PubChem CID9618019
Molecular FormulaC12H12ClN5O
Molecular Weight277.71 g/mol
Exact Mass277.07
IUPAC Name4-chloro-1-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]pyrazole-5-carboxamide
SMILESC/C(=N\NC(=O)C1=C(C=NN1C)Cl)/C2=CN=CC=C2
InChIInChI=1S/C12H12ClN5O/c1-8(9-4-3-5-14-6-9)16-17-12(19)11-10(13)7-15-18(11)2/h3-7H,1-2H3,(H,17,19)/b16-8+
InChIKeyWIODIXYXWUSFCS-LZYBPNLTSA-N
XLogP1.30
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity362

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide (CID 9618019) is 4-chloro-1-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide is C/C(=N\NC(=O)C1=C(C=NN1C)Cl)/C2=CN=CC=C2.
What is the InChIKey of 4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide?
The InChIKey is WIODIXYXWUSFCS-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-8(9-4-3-5-14-6-9)16-17-12(19)11-10(13)7-15-18(11)2/h3-7H,1-2H3,(H,17,19)/b16-8+.
What are the key properties of 4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide?
4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide has a molecular weight of 277.71 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 9618019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).