N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide

C15H10ClF3N4O2 — CID 71899796

IUPACN'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide
SMILESO=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1cnccn1
InChIInChI=1S/C15H10ClF3N4O2/c16-11-3-1-9(7-10(11)15(17,18)19)2-4-13(24)22-23-14(25)12-8-20-5-6-21-12/h1-8H,(H,22,24)(H,23,25)
InChIKeyZBWVAEMFOXNVNJ-UHFFFAOYSA-N
MW370.72 g/mol
LogP2.62
Rot. Bonds3

About N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide

N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide (PubChem CID 71899796) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide
PubChem CID71899796
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC NameN'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide
SMILESO=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1cnccn1
InChIInChI=1S/C15H10ClF3N4O2/c16-11-3-1-9(7-10(11)15(17,18)19)2-4-13(24)22-23-14(25)12-8-20-5-6-21-12/h1-8H,(H,22,24)(H,23,25)
InChIKeyZBWVAEMFOXNVNJ-UHFFFAOYSA-N
XLogP2.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 52.62
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-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687429
N'-[(E)-3-(4-cyanophenyl)prop-2-enoyl]pyrazine-2-carbohydrazide
CID 24618561
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylprop-2-enamide
CID 47099874
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 87057099
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N',N'-dimethylprop-2-enehydrazide
CID 9179882
(3R)-N'-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]-1,1-dioxothiolane-3-carbohydrazide
CID 9083293
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78783054
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 86932537
(E)-N-[3-chloro-4-(trifluoromethyl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18863156
2-[[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 18863167
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)prop-2-enamide
CID 18863151
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-piperidin-1-ylprop-2-enamide
CID 9271811

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide (CID 71899796) is N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide is O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1cnccn1.
What is the InChIKey of N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide?
The InChIKey is ZBWVAEMFOXNVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c16-11-3-1-9(7-10(11)15(17,18)19)2-4-13(24)22-23-14(25)12-8-20-5-6-21-12/h1-8H,(H,22,24)(H,23,25).
What are the key properties of N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide?
N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide has a molecular weight of 370.72 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 71899796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).