(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide

C17H20Cl2N4O — CID 9092581

IUPAC(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)NN(C)C
InChIInChI=1S/C17H20Cl2N4O/c1-11-13(8-9-17(24)21-22(3)4)12(2)23(20-11)10-14-15(18)6-5-7-16(14)19/h5-9H,10H2,1-4H3,(H,21,24)/b9-8+
InChIKeyFLUSBFFJIVUTTC-CMDGGOBGSA-N
MW367.28 g/mol
LogP3.46
Rot. Bonds5

About (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide

(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide (PubChem CID 9092581) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide
PubChem CID9092581
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)NN(C)C
InChIInChI=1S/C17H20Cl2N4O/c1-11-13(8-9-17(24)21-22(3)4)12(2)23(20-11)10-14-15(18)6-5-7-16(14)19/h5-9H,10H2,1-4H3,(H,21,24)/b9-8+
InChIKeyFLUSBFFJIVUTTC-CMDGGOBGSA-N
XLogP3.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
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

(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 2113378
N-(2-amino-2-oxoethyl)-3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enamide
CID 78820089
(E)-N-benzyl-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enamide
CID 9070935
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoate
CID 2440314
1-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 62727450
3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-[1-(hydroxymethyl)cyclopropyl]prop-2-enamide
CID 71844262
3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 78767563
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoate
CID 2551830
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate
CID 5029145
N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026527
(2-acetamido-2-oxoethyl) 3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate
CID 4841533
(E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]prop-2-enamide
CID 134024205

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide?
The IUPAC name of (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide (CID 9092581) is (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide?
The canonical SMILES for (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide is Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)NN(C)C.
What is the InChIKey of (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide?
The InChIKey is FLUSBFFJIVUTTC-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-11-13(8-9-17(24)21-22(3)4)12(2)23(20-11)10-14-15(18)6-5-7-16(14)19/h5-9H,10H2,1-4H3,(H,21,24)/b9-8+.
What are the key properties of (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide?
(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide has a molecular weight of 367.28 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N',N'-dimethylprop-2-enehydrazide is sourced from PubChem (CID 9092581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).