2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide

C15H14Cl2N4O2 — CID 35930069

IUPAC2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
SMILESCc1nn(C)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2N4O2/c1-9-10(14(17)21(2)20-9)7-8-13(22)18-19-15(23)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,18,22)(H,19,23)/b8-7+
InChIKeyJNEJCNQROHIHME-BQYQJAHWSA-N
MW353.21 g/mol
LogP2.51
Rot. Bonds3

About 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide

2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide (PubChem CID 35930069) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
PubChem CID35930069
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
SMILESCc1nn(C)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14Cl2N4O2/c1-9-10(14(17)21(2)20-9)7-8-13(22)18-19-15(23)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,18,22)(H,19,23)/b8-7+
InChIKeyJNEJCNQROHIHME-BQYQJAHWSA-N
XLogP2.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-phenylmethoxyprop-2-enamide
CID 74626756
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 51315069
2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 932790
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 134036405
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 25400166
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941444
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-quinolin-3-ylprop-2-enamide
CID 29330569
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 76857685
2-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 43357472
2-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]propanoic acid
CID 43355405
(E)-N-[(2-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26692075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide (CID 35930069) is 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide is Cc1nn(C)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is JNEJCNQROHIHME-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-9-10(14(17)21(2)20-9)7-8-13(22)18-19-15(23)11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,18,22)(H,19,23)/b8-7+.
What are the key properties of 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 353.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 35930069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).